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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL37251
CHEMBL37251
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H22N6O3S

Additional synonyms for CHEMBL37251 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C(=O)Nc2ccc(cc2)c3ccccc3S(=O)(=O)N)n(n1)c4cccc(c4)C(=N ...
Download SMILES
Standard InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19) ...
Download InChI
Standard InChI Key APFKCRTWNKCURW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL37251

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
474.6 474.1474 3.03 6 156.95 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 9 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.99 10.81 2.35 .37 4 34 0.25

Structural Alerts

There are 5 structural alerts for CHEMBL37251. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:APFKCRTWNKCURW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL37251



BindingDB 12751
Brenda 85779 54190 53198 33747
IBM Patent System C7E997F116473D07BF127A4E9495CA96
Nikkaji J1.497.933F
PubChem 9869498
PubChem: Thomson Pharma 14834472
SureChEMBL SCHEMBL14534861
ZINC ZINC000002006270

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