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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL482436
CHEMBL482436
Compound Name
ChEMBL Synonyms PSB-0788
Max Phase 0
Trade Names
Molecular Formula C25H27ClN6O4S

Additional synonyms for CHEMBL482436 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)Nc2nc([nH]c2C1=O)c3ccc(cc3)S(=O)(=O)N4CCN(Cc5ccc(C ...
Download SMILES
Standard InChI InChI=1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28 ...
Download InChI
Standard InChI Key JQZJACVYMPKVDS-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL482436

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
543.1 542.1503 2.65 7 124.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.37 5.05 4.58 2.59 4 37 0.37

Structural Alerts

There are 1 structural alerts for CHEMBL482436. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JQZJACVYMPKVDS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL482436



BindingDB 50268129
eMolecules 29703123
Guide to Pharmacology 6561
MolPort MolPort-023-276-691
PubChem 44186581
PubChem: Thomson Pharma 85181996
SureChEMBL SCHEMBL16099412
ZINC ZINC000049867711

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