ONATASERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I8RA3543SY

Structure
InChI Key UFKLYTOEMRFKAD-SHTZXODSSA-N
Smile CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1
InChI
InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15-

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27N5O3
Molecular Weight 397.48
AlogP 2.48
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 100.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase mTOR inhibitor PubMed
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
- 10 28 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 28 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 651 - - -
Enzyme Transferase
- 4000 18000 - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 33000 - - -
Unclassified protein
- 30 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Neuroendocrine Tumors 1 D018358 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3586404
DrugBank DB12570
FDA SRS I8RA3543SY
PubChem 58298316
SureChEMBL SCHEMBL138069
ZINC ZINC000114617828
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