Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V734AZP9BR

Structure

InChI Key ZTFBIUXIQYRUNT-MDWZMJQESA-N
Smile FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1
InChI
InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H23F3N4O2
Molecular Weight 468.48
AlogP 6.06
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 65.97
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Receptor protein-tyrosine kinase erbB-2 inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 1 D010190 ClinicalTrials
Kidney Neoplasms 1 D007680 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1614707
DrugBank DB12682
FDA SRS V734AZP9BR
Guide to Pharmacology 6011
PubChem 6444692
SureChEMBL SCHEMBL94943
ZINC ZINC000011679877