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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

Structural Alerts

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

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

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



BindinDB 50119380
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 ZINC03917109

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