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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2031492
CHEMBL2031492
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H28N4O2S

Additional synonyms for CHEMBL2031492 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CCCN([C@@H]1CNC(=O)c2cccc3cccnc23)C(=O)c4nc(C)sc4c5cc ...
Download SMILES
Standard InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31- ...
Download InChI
Standard InChI Key SRKVUFVTSRBFFN-FDDCHVKYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2031492

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
484.6 484.1933 4.51 5 103.43 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.78 3.46 4.03 4.03 4 35 0.45

Structural Alerts

There are no structural alerts for CHEMBL2031492

Compound Cross References

ChemSpider ChemSpider:SRKVUFVTSRBFFN-FDDCHVKYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2031492



BindingDB 50384429
PubChem 70694255
SureChEMBL SCHEMBL15184257
ZINC ZINC000084668471

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