Structure

InChI Key MQHIQUBXFFAOMK-UHFFFAOYSA-N
Smiles Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl
InChI
InChI=1S/C21H23N7O2S.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24ClN7O2S
Molecular Weight 473.99
AlogP 3.14
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 119.03
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor 1 inhibitor INHIBITOR DailyMed

Target Conservation

Protein: Tyrosine-protein kinase LCK

Description: Tyrosine-protein kinase Lck

Organism : Homo sapiens

P06239 ENSG00000182866
Protein: Macrophage colony stimulating factor receptor

Description: Macrophage colony-stimulating factor 1 receptor

Organism : Homo sapiens

P07333 ENSG00000182578
Protein: Platelet-derived growth factor receptor

Description: Platelet-derived growth factor receptor beta

Organism : Homo sapiens

P09619 ENSG00000113721
Protein: Stem cell growth factor receptor

Description: Mast/stem cell growth factor receptor Kit

Organism : Homo sapiens

P10721 ENSG00000157404
Protein: Fibroblast growth factor receptor 1

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 3

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
Protein: Tyrosine-protein kinase ITK/TSK

Description: Tyrosine-protein kinase ITK/TSK

Organism : Homo sapiens

Q08881 ENSG00000113263

Cross References

Resources Reference
ChEBI 71217
ChEMBL CHEMBL1201733
FDA SRS 33Y9ANM545
Guide to Pharmacology 5698
PubChem 11525740
SureChEMBL SCHEMBL159487
ZINC ZINC11617039