CRENOLANIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
UNII: LQF7I567TQ

Structure
InChI Key DYNHJHQFHQTFTP-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Platelet-derived growth factor receptor inhibitor Other PubMed
Primary Target
fms related receptor tyrosine kinase 3
platelet derived growth factor receptor alpha
platelet derived growth factor receptor beta
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 0-35 0-22 - 95-100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Gastrointestinal Stromal Tumors 3 D046152 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Diffuse Intrinsic Pontine Glioma 1 D000080443 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 670220-88-9
ChEBI 145365
ChEMBL CHEMBL2105728
DrugBank DB11832
FDA SRS LQF7I567TQ
Guide to Pharmacology 7882
PDB 6T2
PubChem 10366136
SureChEMBL SCHEMBL2730601
ZINC ZINC000003820043
CONTENTS