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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1373487
CHEMBL1373487
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8N4S

Additional synonyms for CHEMBL1373487 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nnsc1c2nc3ccccc3[nH]2
Standard InChI InChI=1S/C10H8N4S/c1-6-9(15-14-13-6)10-11-7-4-2-3-5-8(7)12-1 ...
Download InChI
Standard InChI Key FWZDEPFNQLNFON-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1373487

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
216.3 216.047 2.39 1 54.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.43 3.22 1.37 1.37 3 15 0.68

Structural Alerts

There are no structural alerts for CHEMBL1373487

Compound Cross References

ChemSpider ChemSpider:FWZDEPFNQLNFON-UHFFFAOYSA-N
PubChem SID: 3715552

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1373487



BindingDB 96125
Mcule MCULE-4846976010
MolPort MolPort-003-247-397
ZINC ZINC000011535685

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