Synonyms
Status
Molecule Category Free-form
UNII 98BSN6N516

Structure

InChI Key HNLRRJSKGXOYNO-UHFFFAOYSA-N
Smiles COCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1
InChI
InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26N6O3S
Molecular Weight 466.57
AlogP 2.59
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 107.01
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

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

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 CHEMBL3963485
DrugBank DB15078
FDA SRS 98BSN6N516
Guide to Pharmacology 9789
PubChem 71611869
SureChEMBL SCHEMBL15023004