RUBOXISTAURIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
UNII: 721809WQCP

Structure
InChI Key ZCBUQCWBWNUWSU-SFHVURJKSA-N
Smile CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1
InChI
InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H28N4O3
Molecular Weight 468.56
AlogP 3.51
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 68.5
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Protein kinase C beta inhibitor PubMed Other
Primary Target
protein kinase C beta
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- - 1400-1400 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase CRIK subfamily
- - 1400-1400 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase GEK subfamily
- - 280-280 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase GRK family AGC protein kinase GRK subfamily
- - 310 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase NDR family
- - 2600-2600 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PDK1 subfamily
- 750 700-700 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKA family
- - 3200-3200 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- 5-6 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- 250 3-3 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- 600-600 11-11 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- 320 1400 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family
- 5-6 11-11 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKG family
- - 3100-3100 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - 1500-1500 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - 1300-2000 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - 210 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 2200-3600 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - 1400 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO1 subfamily
- - 810-810 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO3 subfamily
- - 650 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- - 540-540 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase LKB subfamily
- - 5900 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - 2300 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NuaK subfamily
- - 1800-1800 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family
- - 1800-1800 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- - 4500-9600 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- - 1300-8000 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MNK subfamily
- - 7100 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - 290-290 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PHk family
- - 2700-3700 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- 200-200 130-1700 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 890-890 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RAD53 family
- - 3700 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - 1300-2000 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 2200-3600 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase unique family
- - 2600-3100 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- - 1700 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 2600-8000 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDKL family
- - 4100 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - 1900-8300 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - 5400-5400 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase HIPK subfamily
- 100 140 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - 2600-2600 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family
- - 88-88 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase RCK family CMGC protein kinase MAK
- - 240 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase SRPK family
- - 1100 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 100 1900-8300 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 3000 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CAMKK family Other protein kinase Meta subfamily
- - 1100-2400 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 3400-6700 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- - 970 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 1100-1300 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 370-4700 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TLK family
- - 2100 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family STE protein kinase MEKK2
- - 170 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 170 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 2600-2600 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - 310 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - 960-960 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 280-1100 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - 1800 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 930-930 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LRRK family
- - 9700 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - 1400-1400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - 5100-7400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - 5100 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 420-1200 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 420-1200 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 130-1900 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Sev family
- - 5800 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - 1300 - -
Enzyme Kinase
- 5-6 130-1900 - -
Enzyme Transferase
- - 510 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Retinopathy 3 D003930 ClinicalTrials
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Diabetic Neuropathies 3 D003929 ClinicalTrials
Diabetes Mellitus 2 D003920 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Heart Failure 1 D006333 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 169939-94-0
ChEMBL CHEMBL91829
DrugBank DB11829
DrugCentral 3533
EPA CompTox DTXSID00168775
FDA SRS 721809WQCP
Guide to Pharmacology 5263
PDB LY4
PubChem 153999
SureChEMBL SCHEMBL2496701
ZINC ZINC000003812168
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