OSI-027

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 25MKH1SZ0M

Structure
InChI Key JROFGZPOBKIAEW-HAQNSBGRSA-N
Smile COc1cccc2cc(-c3nc([C@H]4CC[C@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12
InChI
InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)/t11-,12-

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22N6O3
Molecular Weight 406.45
AlogP 3.22
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 131.42
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase mTOR inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 4-1000 - - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 4-1000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 1617 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase nmo subfamily
- - 3331 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 1604 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 4914 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - 1163 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - 549 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 2 subfamily
- - 2097 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 57 - -
Enzyme Lyase
- - 12611 - -
Enzyme Oxidoreductase
- - 1390 - -
Enzyme Transferase
- 1300 4974 - 5.774
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -29.09--25.46
Other cytosolic protein
- 65 - - -
Unclassified protein
- 22 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials
Lymphedema 1 D008209 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 936890-98-1
ChEMBL CHEMBL3120215
DrugBank DB12387
FDA SRS 25MKH1SZ0M
SureChEMBL SCHEMBL976795
CONTENTS