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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

Structural Alerts

There are no structural alerts for CHEMBL191334

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

Compound Cross References

ChemSpider ChemSpider:BDUHCSBCVGXTJM-WUFINQPMSA-N
Wikipedia Nutlin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL191334



BindinDB 50229787
eMolecules 30497382
FDA SRS L7C92IOE65
IBM Patent System 46B5F2348F8AFBAF64E717F5BCA448E3
IBM Patents EP1840570A1 US20070231789 US20050282803 EP2037270A2
LINCS LSM-6351
PDBe NUT
PubChem 11433190
PubChem: Thomson Pharma 16530573
SureChEMBL SCHEMBL1155752
ZINC ZINC16051336

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