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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL39560
CHEMBL39560
Compound Name ACEPROMAZINE
ChEMBL Synonyms ACEPROMAZINE | ACEPROMAZINE MALEATE | Acezine 2 | Atravet
Max Phase 0
Trade Names
Molecular Formula C19H22N2OS

Additional synonyms for CHEMBL39560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C
Standard InChI InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11- ...
Download InChI
Standard InChI Key NOSIYYJFMPDDSA-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL39560

Molecule Features

CHEMBL39560 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Psychotic DisordersD011618EFO:0005407psychosis0ATC

Clinical Data

ClinicalTrials.gov ACEPROMAZINE
The Cochrane Collaboration ACEPROMAZINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL39560. 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
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 1.000
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.999
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.995
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.994
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.982
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.965
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.954
CHEMBL3797 Serine-protein kinase ATM Homo sapiens 0.929
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.922
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.922
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.904
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.903
CHEMBL287 Sigma opioid receptor Homo sapiens 0.868
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.817
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.740
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.644



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL1941 Histamine H2 receptor Homo sapiens 1.000
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.997
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.986
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.951
CHEMBL2428 Myosin light chain kinase, smooth muscle Homo sapiens 0.947
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.944
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.938
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.925
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.832
CHEMBL3797 Serine-protein kinase ATM Homo sapiens 0.786
CHEMBL4869 Prion protein Homo sapiens 0.738
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.690
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.596
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.501
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.479
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.471

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
326.5 326.1453 4.44 5 23.55 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.41 4.08 2.13 2 23 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL39560. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05A - ANTIPSYCHOTICS
N05AA - Phenothiazines with aliphatic side-chain
N05AA04 - acepromazine

ChemSpider ChemSpider:NOSIYYJFMPDDSA-UHFFFAOYSA-N
PubChem SID: 11112541
Wikipedia Acepromazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL39560



ACToR 61-00-7
BindingDB 50131719
ChEBI 44932
DrugBank DB01614
DrugCentral 73
eMolecules 35867465
EPA CompTox Dashboard DTXSID1022552
FDA SRS 54EJ303F0R
Human Metabolome Database HMDB0015552
IBM Patent System 552A929BB3B259275BCD5B361FCF248B
LINCS LSM-4609
Nikkaji J4.812G
PDBe PMZ
PharmGKB PA164783999
PubChem 6077
PubChem: Thomson Pharma 15396826
SureChEMBL SCHEMBL73018
ZINC ZINC000000057198

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