Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9RIE5HW38P

Structure

InChI Key XRYJULCDUUATMC-CYBMUJFWSA-N
Smile C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1
InChI
InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18N4O
Molecular Weight 330.39
AlogP 4.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 73.83
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1963502
FDA SRS 9RIE5HW38P
Guide to Pharmacology 7642
PubChem 6918403
SureChEMBL SCHEMBL177814
ZINC ZINC000000023255