Structure

InChI Key MMMVNAGRWOJNMW-FJBFXRHMSA-N
Smiles CCS(=O)(=O)O.COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
InChI
InChI=1S/C31H33N5O4.C2H6O3S/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;1-2-6(3,4)5/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2H2,1H3,(H,3,4,5)/b29-28-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H39N5O7S
Molecular Weight 649.77
AlogP 3.62
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 94.22
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 13-610 - - -
Mus musculus
- 13 - - -

Target Conservation

Protein: Platelet-derived growth factor receptor

Description: Platelet-derived growth factor receptor beta

Organism : Homo sapiens

P09619 ENSG00000113721
Protein: Fibroblast growth factor receptor

Description: Fibroblast growth factor receptor 1

Organism : Homo sapiens

P11362 ENSG00000077782
Protein: Platelet-derived growth factor receptor

Description: Platelet-derived growth factor receptor alpha

Organism : Homo sapiens

P16234 ENSG00000134853
Protein: Vascular endothelial growth factor receptor

Description: Vascular endothelial growth factor receptor 1

Organism : Homo sapiens

P17948 ENSG00000102755
Protein: Fibroblast growth factor receptor

Description: Fibroblast growth factor receptor 2

Organism : Homo sapiens

P21802 ENSG00000066468
Protein: Fibroblast growth factor receptor

Description: Fibroblast growth factor receptor 4

Organism : Homo sapiens

P22455 ENSG00000160867
Protein: Fibroblast growth factor receptor

Description: Fibroblast growth factor receptor 3

Organism : Homo sapiens

P22607 ENSG00000068078
Protein: Vascular endothelial growth factor receptor

Description: Vascular endothelial growth factor receptor 3

Organism : Homo sapiens

P35916 ENSG00000037280
Protein: Vascular endothelial growth factor receptor

Description: Vascular endothelial growth factor receptor 2

Organism : Homo sapiens

P35968 ENSG00000128052

Cross References

Resources Reference
ChEBI 85170
ChEMBL CHEMBL3039504
FDA SRS 42F62RTZ4G
SureChEMBL SCHEMBL2278759