Structure

InChI Key MGZKYOAQVGSSGC-DLBZAZTESA-N
Smile C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1
InChI
InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24Cl2N4O4
Molecular Weight 503.39
AlogP 4.49
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 94.6
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - - 10

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4514636
FDA SRS 5Q7R99CKV2
Guide to Pharmacology 10220
SureChEMBL SCHEMBL16668287