TANDUTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E1IO3ICJ9A

Structure
InChI Key UXXQOJXBIDBUAC-UHFFFAOYSA-N
Smile COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1
InChI
InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H42N6O4
Molecular Weight 562.72
AlogP 5.03
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 92.29
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Platelet-derived growth factor receptor beta inhibitor PubMed PubMed Other
Primary Target
fms related receptor tyrosine kinase 3
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- - 3100 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 2400-6000 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDKL family
- - 2900-2900 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - 630-1400 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase HIPK subfamily
- - 400-2400 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 1600-1600 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 3700 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 7600 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 5900 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 780-2500 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 4200 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 3100 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 730-730 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR1
- - 2500-2500 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - 3500 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 1400-1400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - 210-870 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 170 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 33-9220 3-1100 - 46
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 30000 7200 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - 200-450 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 2070 3100-3100 - -
Membrane receptor
- - 1300-1300 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Gliosarcoma 2 D018316 ClinicalTrials
Oligodendroglioma 2 D009837 ClinicalTrials
Astrocytoma 2 D001254 ClinicalTrials
Oligodendroglioma 2 D009837 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 387867-13-2
ChEBI 90237
ChEMBL CHEMBL124660
DrugBank DB05465
EPA CompTox DTXSID8048947
FDA SRS E1IO3ICJ9A
Guide to Pharmacology 5695
PubChem 3038522
SureChEMBL SCHEMBL927974
ZINC ZINC000003966243
CONTENTS