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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15177
CHEMBL15177
Compound Name MK-571
ChEMBL Synonyms MK-571 | L-660711 | L-660771
Max Phase 0
Trade Names
Molecular Formula C26H27ClN2O3S2

Additional synonyms for CHEMBL15177 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Standard InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-2 ...
Download InChI
Standard InChI Key AXUZQJFHDNNPFG-UXBLZVDNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL15177

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
515.1 514.1152 6.48 11 70.5 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.27 2.18 3.41 .37 3 34 0.3

Structural Alerts

There are 6 structural alerts for CHEMBL15177. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AXUZQJFHDNNPFG-UXBLZVDNSA-N
PubChem SID: 26756893

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15177



ACToR 120443-16-5 115104-28-4
BindingDB 50001285
Brenda 11139 73863
ChEBI 6619
eMolecules 25691121
EPA CompTox Dashboard DTXSID5048390
KEGG Ligand C11239
MolPort MolPort-006-395-229
Nikkaji J364.035C
PubChem 5281888
PubChem: Thomson Pharma 14811472
SureChEMBL SCHEMBL2729252

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