OLMUTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EB06
UNII: CHL9B67L95

Structure
InChI Key FDMQDKQUTRLUBU-UHFFFAOYSA-N
Smile C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1
InChI
InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H26N6O2S
Molecular Weight 486.6
AlogP 5.1
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 82.62
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 1-2000 - - 20-104
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - - - 7-7
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1353550-13-6
ChEMBL CHEMBL3786343
DrugBank DB13164
DrugCentral 5210
FDA SRS CHL9B67L95
Guide to Pharmacology 9196
PubChem 54758501
SureChEMBL SCHEMBL14914931
ZINC ZINC000198970879
CONTENTS