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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1183764
CHEMBL1183764
Compound Name
ChEMBL Synonyms ABT-299
Max Phase 0
Trade Names
Molecular Formula C32H28FN4O4S

Additional synonyms for CHEMBL1183764 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@H](SCc23)c4ccc[n+](COC(=O)C)c4) ...
Download SMILES
Standard InChI InChI=1S/C32H28FN4O4S/c1-20(38)41-19-35-13-4-5-23(16-35)31-3 ...
Download InChI
Standard InChI Key QWJUQXUPQOVZHR-WJOKGBTCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1183764

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
583.7 583.1815 6.4 7 102.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 8 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.15 5.15 5 42 0.13

Structural Alerts

There are 5 structural alerts for CHEMBL1183764. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QWJUQXUPQOVZHR-WJOKGBTCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1183764



BindingDB 50062086
FDA SRS NL100VQR8T
Nikkaji J628.074I
PubChem 9830504
ZINC ZINC000003930598

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