Structure

InChI Key GUQNHCGYHLSITB-UHFFFAOYSA-N
Smiles CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1.O=P(O)(O)O
InChI
InChI=1S/C26H31Cl2N7O3.H3O4P/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;1-5(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H34Cl2N7O7P
Molecular Weight 658.48
AlogP 5.35
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 95.09
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4.9-52.2 - - -
Mus musculus
- 2 - - -

Target Conservation

Protein: Fibroblast growth factor receptor

Description: Fibroblast growth factor receptor 1

Organism : Homo sapiens

P11362 ENSG00000077782
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

Cross References

Resources Reference
ChEMBL CHEMBL1834657
FDA SRS 58BH47BV6S
SureChEMBL SCHEMBL14893408