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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1085
CHEMBL1085
Compound Name ACETOPHENAZINE
ChEMBL Synonyms SCH 6673 | Tindal | ACETOPHENAZINE | TINDAL | ACETOPHENAZINE MALEATE | ACEPHENAZINE DIMALEATE
Max Phase 4 (Approved)
Trade Names TINDAL
Molecular Formula C23H29N3O2S

Additional synonyms for CHEMBL1085 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1
Standard InChI InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3 ...
Download InChI
Standard InChI Key WNTYBHLDCKXEOT-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1085

Molecule Features

CHEMBL1085 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Dopamine D2 receptor antagonist Dopamine D2 receptor PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Psychotic DisordersD011618EFO:0005407psychosis4ATC

Clinical Data

ClinicalTrials.gov ACETOPHENAZINE
The Cochrane Collaboration ACETOPHENAZINE

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 CHEMBL1085. 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
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 1.000
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.999
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.998
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.998
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.997
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.997
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.997
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.996
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.996
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.996
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 0.995
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 0.994



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 1.000
CHEMBL1941 Histamine H2 receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.999
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 0.998
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.998
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.995
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.994
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.993
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.993
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.993
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.992

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
411.6 411.198 3.49 7 47.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.39 2.84 2.5 2 29 0.7

Structural Alerts

There are 1 structural alerts for CHEMBL1085. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05A - ANTIPSYCHOTICS
N05AB - Phenothiazines with piperazine structure
N05AB07 - acetophenazine

ChemSpider ChemSpider:WNTYBHLDCKXEOT-UHFFFAOYSA-N
PubChem SID: 50125831
Wikipedia Acetophenazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1085



ACToR 2751-68-0
BindingDB 82475
ChEBI 2401
DrugBank DB01063
DrugCentral 59
EPA CompTox Dashboard DTXSID2022547
FDA SRS 8620H6K4QH
Human Metabolome Database HMDB0015196
IBM Patent System 7F57D01FDAE2C151E0B9808B6CE34354
Nikkaji J7.905G
PubChem 17676
PubChem: Thomson Pharma 14981427
SureChEMBL SCHEMBL94266
ZINC ZINC000022446634

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