Structure

InChI Key CVWXJKQAOSCOAB-UHFFFAOYSA-N
Smiles CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1
InChI
InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H32N6O4S
Molecular Weight 560.68
AlogP 5.86
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 106.16
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Macrophage colony stimulating factor receptor inhibitor INHIBITOR PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0-625 1.3-690 - 69.3-99.2
Mus musculus
- 4.94 - - 40-95

Target Conservation

Protein: Macrophage colony stimulating factor receptor

Description: Macrophage colony-stimulating factor 1 receptor

Organism : Homo sapiens

P07333 ENSG00000182578
Protein: Tyrosine-protein kinase receptor RET

Description: Proto-oncogene tyrosine-protein kinase receptor Ret

Organism : Homo sapiens

P07949 ENSG00000165731
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: Tyrosine-protein kinase receptor FLT3

Description: Receptor-type tyrosine-protein kinase FLT3

Organism : Homo sapiens

P36888 ENSG00000122025

Cross References

Resources Reference
ChEBI 90217
ChEMBL CHEMBL576982
DrugBank DB12874
DrugCentral 5341
FDA SRS 7LA4O6Q0D3
Guide to Pharmacology 5658
PDB P30
PubChem 24889392
SureChEMBL SCHEMBL72923
ZINC ZINC000043204002