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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL381689
CHEMBL381689
Compound Name SR-144528
ChEMBL Synonyms SR-144528
Max Phase 0
Trade Names
Molecular Formula C29H34ClN3O

Additional synonyms for CHEMBL381689 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Cn2nc(cc2c3ccc(Cl)c(C)c3)C(=O)NC4C5(C)CCC(C5)C4(C)C)c ...
Download SMILES
Standard InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-2 ...
Download InChI
Standard InChI Key SUGVYNSRNKFXQM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL381689

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
476.1 475.239 7.61 5 46.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.52 - 10.17 10.17 3 34 0.41

Structural Alerts

There are no structural alerts for CHEMBL381689

Compound Cross References

ChemSpider ChemSpider:SUGVYNSRNKFXQM-UHFFFAOYSA-N
Wikipedia SR-144,528

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL381689



BindingDB 50180022
IBM Patent System AE5CC6C3C69CE96FCB41FBACE6A8EED0
Nikkaji J3.483.792I
PubChem 44208932
SureChEMBL SCHEMBL1546003

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