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Compound Detail

CHEMBL1085

ACETOPHENAZINE
💊 Approved Drug
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💊 Approved Drug
CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1085
Name ACETOPHENAZINE
Phase Approved
Structure Type MOL
InChI Key WNTYBHLDCKXEOT-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Acetofenazina Acetophenazine
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications

Molecular Properties

411.6
MW (Da)
3.49
ALogP
6
HBA
1
HBD
47.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1961
Availability Discontinued
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Year 1963

Extended Properties

Molecular Formula C23H29N3O2S
MW 411.57
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.03

Indications

Psychotic Disorders

ATC Classification

N05AB07
acetophenazine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

EC50 1 meas. best 4.95
Ki 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 6.1 6.1 800.0 1
Middle East respiratory syndrome-related coronavirus
CHEMBL4296578
 EC50 4.95 4.95 11200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 800.0 nM 6.1 Displacement of [3H]mibolerone from rat androgen receptor 17606915
Middle East respiratory syndrome-related coronavirus EC50 = 11200.0 nM 4.95 Antiviral activity against MERS-CoV/KOR/KNIH/002_05_2015 infected in human Huh-7... 32283298

Literature References

PubMed DOI Target Context # Activities
6167716 10.1021/jm00135a006 No relevant target 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 3
17606915 10.1073/pnas.0609752104 Androgen receptor 2
6167716 10.1021/jm00135a006 ADMET 2
- 10.6019/CHEMBL4651402 Vero C1008 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2

Data from ChEMBL 36 via Core Engine