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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL191334
CHEMBL191334
Compound Name NUTLIN-3
ChEMBL Synonyms Nutlin-3
Max Phase 0
Trade Names
Molecular Formula C30H30Cl2N4O4

Additional synonyms for CHEMBL191334 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5c ...
Download SMILES
Standard InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25) ...
Download InChI
Standard InChI Key BDUHCSBCVGXTJM-WUFINQPMSA-N

Sources

  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL191334

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
581.5 580.1644 5.43 6 83.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 2 8 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.82 4.99 4.99 3 40 0.42

Structural Alerts

There are no structural alerts for CHEMBL191334

Compound Cross References

ChemSpider ChemSpider:BDUHCSBCVGXTJM-WUFINQPMSA-N
Wikipedia Nutlin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL191334



BindingDB 50229787
ChEBI 95096
eMolecules 30497382
FDA SRS L7C92IOE65
IBM Patent System 46B5F2348F8AFBAF64E717F5BCA448E3
LINCS LSM-6351
Nikkaji J2.492.420C
PDBe NUT
PubChem 11433190
PubChem: Thomson Pharma 16530573
SureChEMBL SCHEMBL1155752
ZINC ZINC000016051336

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