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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25236
CHEMBL25236
Compound Name BP-897
ChEMBL Synonyms BP-897
Max Phase 0
Trade Names
Molecular Formula C26H31N3O2

Additional synonyms for CHEMBL25236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2
Standard InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17- ...
Download InChI
Standard InChI Key MNHDKMDLOJSCGN-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25236

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
417.5 417.2416 4.34 8 44.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.89 4.09 3.67 3 31 0.55

Structural Alerts

There are 2 structural alerts for CHEMBL25236. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MNHDKMDLOJSCGN-UHFFFAOYSA-N
PubChem SID: 11110867 SID: 11110868 SID: 50105904 SID: 50105905 SID: 85230943 SID: 90340615
Wikipedia BP-897

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25236



BindingDB 50119380
ChEBI 92310
eMolecules 535502
FDA SRS 2FVL90IM8I
Guide to Pharmacology 7625
IBM Patent System EDAC172C4033CF442F231BFEDA37B2B2
LINCS LSM-2376
Nikkaji J1.194.291A
PubChem 3038495
PubChem: Thomson Pharma 14782328
SureChEMBL SCHEMBL2125882
ZINC ZINC000003917109

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