Synonyms
Status
Molecule Category Free-form
UNII A4055ME1VK
EPA CompTox DTXSID70236238

Structure

InChI Key QADPYRIHXKWUSV-UHFFFAOYSA-N
Smiles CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1
InChI
InChI=1S/C26H31Cl2N7O3/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/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H31Cl2N7O3
Molecular Weight 560.49
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 PubMed Other
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.59-172 - 46.5 10-83.67
Mus musculus
- 132.6-581 - - -
Rattus norvegicus
- - - - 59.5-98.2

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

Related Entries

Cross References

Resources Reference
ChEBI 63451
ChEMBL CHEMBL1852688
DrugBank DB11886
FDA SRS A4055ME1VK
Guide to Pharmacology 7877
PDB 07J
PubChem 53235510
SureChEMBL SCHEMBL374435
ZINC ZINC000072105034