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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL332347
CHEMBL332347
Compound Name
ChEMBL Synonyms BIBP-3226
Max Phase 0
Trade Names
Molecular Formula C27H31N5O3

Additional synonyms for CHEMBL332347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=NCCC[C@@H](NC(=O)C(c1ccccc1)c2ccccc2)C(=O)NCc3ccc(O)cc3) ...
Download SMILES
Standard InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-1 ...
Download InChI
Standard InChI Key KUWBXRGRMQZCSS-HSZRJFAPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL332347

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
473.6 473.2427 2.78 11 142.82 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 8 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.71 13.35 3.24 1.23 3 35 0.17

Structural Alerts

There are 6 structural alerts for CHEMBL332347. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KUWBXRGRMQZCSS-HSZRJFAPSA-N
Wikipedia BIBP-3226

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL332347



BindingDB 50060728
eMolecules 534991
EPA CompTox Dashboard DTXSID30415502
Guide to Pharmacology 3474 1485
IBM Patent System CCAD48BA1845179BFBED0E3FCCC82070
Nikkaji J624.305C
PubChem 5311023
PubChem: Thomson Pharma 14907626 14907625
SureChEMBL SCHEMBL650331
ZINC ZINC000003811314

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