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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL944
CHEMBL944
Compound Name CHLOROPROCAINE HYDROCHLORIDE
ChEMBL Synonyms CHLOROPROCAINE HYDROCHLORIDE | CHLORPROCAINE CHLORIDE | NESACAINE | CLOROTEKAL | NESACAINE-MPF | AMPRES
Max Phase 4 (Approved)
Trade Names AMPRES | CHLOROPROCAINE HYDROCHLORIDE | CLOROTEKAL | NESACAINE | NESACAINE-MPF
Molecular Formula C13H20Cl2N2O2

Additional synonyms for CHEMBL944 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
Standard InChI InChI=1S/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10 ...
Download InChI
Standard InChI Key SZKQYDBPUCZLRX-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL944

Molecule Features

CHEMBL944 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel alpha subunit blocker Sodium channel alpha subunit FDA PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AnesthesiaD0007584DailyMed
DailyMed
DailyMed
DailyMed
PainD010146EFO:0003843pain2ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov CHLOROPROCAINE HYDROCHLORIDE
The Cochrane Collaboration CHLOROPROCAINE HYDROCHLORIDE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL944. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.997
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 0.996
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.919
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 0.913
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.877
CHEMBL3650 Fibroblast growth factor receptor 1 Homo sapiens 0.846
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.805
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.253



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 0.987
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.987
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.986
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.981
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.888
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.863
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 0.735
CHEMBL3650 Fibroblast growth factor receptor 1 Homo sapiens 0.645
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.475
CHEMBL220 Acetylcholinesterase Homo sapiens 0.238

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
270.8 270.1135 2.42 6 55.56 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.14 2.83 1.07 1 18 0.64

Structural Alerts

There are 5 structural alerts for CHEMBL944. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SZKQYDBPUCZLRX-UHFFFAOYSA-N
DailyMed chloroprocaine hydrochloride
PubChem SID: 144206478

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL944



ACToR 3858-89-7
ChEBI 3637
EPA CompTox Dashboard DTXSID6048595
FDA SRS LT7Z1YW11H
MolPort MolPort-006-115-755
PubChem 441348 19727
PubChem: Thomson Pharma 14825535
SureChEMBL SCHEMBL24096

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