Structure

InChI Key KEIPNCCJPRMIAX-HNNXBMFYSA-N
Smile C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1
InChI
InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N6O3
Molecular Weight 418.46
AlogP 1.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 108.39
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor inhibitor PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cholangiocarcinoma 3 D018281 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3701238
DrugBank DB15149
FDA SRS 4B93MGE4AL
Guide to Pharmacology 9786
PDB TZ0
PubChem 71621331
SureChEMBL SCHEMBL15345470
ZINC ZINC000207800318