Structure

InChI Key WJEOLQLKVOPQFV-UHFFFAOYSA-N
Smiles Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1
InChI
InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H30N6OS
Molecular Weight 498.66
AlogP 5.26
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 73.39
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Target Conservation

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: Platelet-derived growth factor receptor

Description: Platelet-derived growth factor receptor alpha

Organism : Homo sapiens

P16234 ENSG00000134853
Protein: Fibroblast growth factor receptor 3

Description: Fibroblast growth factor receptor 3

Organism : Homo sapiens

P22607 ENSG00000068078

Cross References

Resources Reference
ChEBI 63450
ChEMBL CHEMBL1908391
DrugBank DB11526
FDA SRS M59NC4E26P
Guide to Pharmacology 5656
PDB G65
PubChem 10074640
SureChEMBL SCHEMBL717239
ZINC ZINC000034177219