ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL23731
CHEMBL23731
Compound Name AMIDATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N2O2

Additional synonyms for CHEMBL23731 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1cncn1C(C)c2ccccc2
Standard InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7 ...
Download InChI
Standard InChI Key NPUKDXXFDDZOKR-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL23731

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
244.3 244.1212 2.67 4 44.12 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.23 3.05 3.05 2 18 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL23731. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NPUKDXXFDDZOKR-UHFFFAOYSA-N
PubChem SID: 144204179 SID: 170465117 SID: 50085887 SID: 845401
Wikipedia Etomidate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL23731



ACToR 33125-97-2 15301-65-2
Brenda 14447
ChEBI 91759
eMolecules 1360413
EPA CompTox Dashboard DTXSID5023033
IBM Patent System 82980422EB02447C9C1465F9B3400BA2
KEGG Ligand C07522
LINCS LSM-1640
Mcule MCULE-8274432743
MolPort MolPort-000-917-569
NIH Clinical Collection SAM002548930
Nikkaji J331.127I
PharmGKB PA164743987
PubChem 36339
PubChem: Thomson Pharma 15391596
Selleck Etomidate
SureChEMBL SCHEMBL39485

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