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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL149223
CHEMBL149223
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H34N4O5S

Additional synonyms for CHEMBL149223 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(C)CC3)C1 ...
Download SMILES
Standard InChI InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14 ...
Download InChI
Standard InChI Key WIGIZIANZCJQQY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL149223

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
490.6 490.225 3.07 7 124.68 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.1 - 3.45 1.51 1 34 0.54

Structural Alerts

There are 1 structural alerts for CHEMBL149223. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WIGIZIANZCJQQY-UHFFFAOYSA-N
PubChem SID: 11112876

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL149223



ChEBI 92609
eMolecules 901943
Human Metabolome Database HMDB0014367
IBM Patent System 7F47B872D813BDA7A6CB7F9DDC82730E
KEGG Ligand C07669
LINCS LSM-2760
MolPort MolPort-003-987-461
Nikkaji J3.204.182E
PharmGKB PA449761
PubChem 3476
PubChem: Thomson Pharma 99344865
SureChEMBL SCHEMBL16084
ZINC ZINC000000537791

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