ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL288174
CHEMBL288174
Compound Name
ChEMBL Synonyms L-162313
Max Phase 0
Trade Names
Molecular Formula C30H38N4O4S2

Additional synonyms for CHEMBL288174 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1c2ccc(Cn3c(CC)nc4c(C)cc(C ...
Download SMILES
Standard InChI InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(1 ...
Download InChI
Standard InChI Key RINPELQWLUGERM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL288174

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
582.8 582.2334 6.8 11 103.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.32 6.29 6.44 4.45 4 40 0.2

Structural Alerts

There are 4 structural alerts for CHEMBL288174. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RINPELQWLUGERM-UHFFFAOYSA-N
PubChem SID: 11111368 SID: 50106511 SID: 50106512 SID: 57264287 SID: 85231107

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL288174



BindingDB 50049189
eMolecules 11020117
Guide to Pharmacology 3936
IBM Patent System 8B36D1C20256DD61586DB7AD40D23D5E
Nikkaji J2.392.322J
PubChem 6603900
PubChem: Thomson Pharma 14911428
SureChEMBL SCHEMBL9132197
ZINC ZINC000003918293

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