ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11684
CHEMBL11684
Compound Name (-)-CROMAKALIM
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H18N2O3

Additional synonyms for CHEMBL11684 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N3CCCC3=O)C#N
Standard InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8- ...
Download InChI
Standard InChI Key TVZCRIROJQEVOT-LSDHHAIUSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11684

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
286.3 286.1317 1.75 1 73.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.18 - 2.12 2.12 1 21 0.85

Structural Alerts

There are no structural alerts for CHEMBL11684

Compound Cross References

ChemSpider ChemSpider:TVZCRIROJQEVOT-LSDHHAIUSA-N
PubChem SID: 11114051 SID: 11114052
Wikipedia Cromakalim

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11684



ACToR 94470-67-4
BindingDB 50044253
eMolecules 31225256
IBM Patent System 9F29A73361814F4AA39773C9B561EF4B
Nikkaji J386.542H
PubChem 71191
PubChem: Thomson Pharma 163480050
SureChEMBL SCHEMBL12833
ZINC ZINC000000014006

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