ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL44618
CHEMBL44618
Compound Name CHLOROFORM
ChEMBL Synonyms CHLOROFORM
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula CHCl3

Additional synonyms for CHEMBL44618 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(Cl)Cl
Standard InChI InChI=1S/CHCl3/c2-1(3)4/h1H
Standard InChI Key HEDRZPFGACZZDS-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL44618

Molecule Features

CHEMBL44618 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year
Country United States
Reason

Clinical Data

ClinicalTrials.gov CHLOROFORM
The Cochrane Collaboration CHLOROFORM

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
119.4 117.9144 1.62 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.94 1.94 0 4 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL44618. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01A - ANESTHETICS, GENERAL
N01AB - Halogenated hydrocarbons
N01AB02 - chloroform

ChemSpider ChemSpider:HEDRZPFGACZZDS-UHFFFAOYSA-N
PubChem SID: 144209692 SID: 17389970
Wikipedia Chloroform

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL44618



ACToR 67-66-3
Brenda 20552 32169 4509
ChEBI 35255
DrugCentral 4363
eMolecules 475127
EPA CompTox Dashboard DTXSID1020306
FDA SRS 7V31YC746X
Guide to Pharmacology 2503
Human Metabolome Database HMDB0029596
IBM Patent System FECF6B2DE50BE588AE4E454265CD27C4 1567AD12F4252A9DF8A7D43F63945439
KEGG Ligand C13827
LINCS LSM-37229
Mcule MCULE-5607930311
Nikkaji J2.366C
NMRShiftDB 10011076
PDBe MCH
PubChem 6212
PubChem: Thomson Pharma 15297130
SureChEMBL SCHEMBL88
ZINC ZINC000008214524

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