OLMUTINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L01EB06
UNII CHL9B67L95

Structure

InChI Key FDMQDKQUTRLUBU-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Epidermal growth factor receptor erbB1 inhibitor 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
- 0.9-48 - - 20.3-103.6
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - - - 7.1-7.1
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 1 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.9-520.5 - - 6.08-103.6

Target Conservation

Protein: Epidermal growth factor receptor erbB1
Description: Epidermal growth factor receptor
Organism : Homo sapiens
P00533 ENSG00000146648

Cross References

Resources Reference
ChEMBL CHEMBL3786343
DrugBank DB13164
DrugCentral 5210
FDA SRS CHL9B67L95
Guide to Pharmacology 9196
PubChem 54758501
SureChEMBL SCHEMBL14914931
ZINC ZINC000198970879
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