Structure

InChI Key LTEJRLHKIYCEOX-OCCSQVGLSA-N
Smiles Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
InChI
InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24FN5O4
Molecular Weight 441.46
AlogP 3.42
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 116.76
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor inhibitor INHIBITOR PubMed PubMed

Target Conservation

Protein: Fibroblast growth factor receptor

Description: Fibroblast growth factor receptor 1

Organism : Homo sapiens

P11362 ENSG00000077782
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

Related Entries

Cross References

Resources Reference
ChEBI 167656
ChEMBL CHEMBL270995
DrugBank DB11865
FDA SRS U2Y5OFN795
Guide to Pharmacology 8097
PubChem 11154925
SureChEMBL SCHEMBL483382
ZINC ZINC000029134440