CRENOLANIB

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Synonyms
Status
Molecule Category Free-form
UNII LQF7I567TQ

Structure

InChI Key DYNHJHQFHQTFTP-UHFFFAOYSA-N
Smiles CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
InChI
InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H29N5O2
Molecular Weight 443.55
AlogP 3.92
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 78.43
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Platelet-derived growth factor receptor inhibitor INHIBITOR Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 0.06-35 0.15-22 - 95-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.06-35 0.15-22 - 95-100

Target Conservation

Protein: Platelet-derived growth factor receptor
Description: Platelet-derived growth factor receptor beta
Organism : Homo sapiens
P09619 ENSG00000113721
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 145365
ChEMBL CHEMBL2105728
DrugBank DB11832
FDA SRS LQF7I567TQ
Guide to Pharmacology 7882
PDB 6T2
PubChem 10366136
SureChEMBL SCHEMBL2730601
ZINC ZINC000003820043
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