Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4HTE364XIK

Structure

InChI Key MBWRLLRCTIYXDW-UHFFFAOYSA-N
Smile C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
InChI
InChI=1S/C29H34Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h6,8-9,14-17H,1,7,10-13H2,2-5H3,(H,35,40)(H,36,41)(H,32,33,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H34Cl2N8O4
Molecular Weight 629.55
AlogP 5.48
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 124.19
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 43.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 1060 - - -

Indications

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

Cross References

Resources Reference
CAS NUMBER 1702259-66-2
ChEMBL CHEMBL3939295
DrugBank DB15169
FDA SRS 4HTE364XIK
PubChem 118029202
SureChEMBL SCHEMBL16659467
ZINC ZINC000521836463