ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9946
CHEMBL9946
Compound Name CP-154526
ChEMBL Synonyms CP-154526 | CP-154526-1
Max Phase 0
Trade Names
Molecular Formula C23H32N4

Additional synonyms for CHEMBL9946 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN(CC)c1nc(C)nc2c1c(C)cn2c3c(C)cc(C)cc3C
Standard InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)2 ...
Download InChI
Standard InChI Key FHQYJZCJRZHINA-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL9946

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
364.5 364.2627 6.61 1 6 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- 6.97 5.97 5.77 3 27 0 0.49

Compound Cross References

ChemSpider ChemSpider:FHQYJZCJRZHINA-UHFFFAOYSA-N
Wikipedia CP-154,526

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9946



PubChem: Drugs of the Future 12014900
ZINC ZINC01539133
IBM Patent System 4D34329B6DC37BF90A0CDD2C11B0266F
Patent US5646152 WO1994013676A1 US6051578
SureChem SureCN5707848
PubChem: Thomson Pharma 14901603
PubChem 5311055

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FHQYJZCJRZHINA-UHFFFAOYSA-N spacer
spacer