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Compound Detail

CHEMBL39560

ACEPROMAZINE
🧪 Phase II
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🧪 Phase II
CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39560
Name ACEPROMAZINE
Phase Phase II
Structure Type MOL
InChI Key NOSIYYJFMPDDSA-UHFFFAOYSA-N

Known Names

Acepromazina Acepromazine Acetylpromazine Acezine 2 Atravet Concentrat vo34
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications

Molecular Properties

326.5
MW (Da)
4.44
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1973

Extended Properties

Molecular Formula C19H22N2OS
MW 326.47
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.21

Indications

Psychotic Disorders

ATC Classification

N05AA04
acepromazine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

EC50 2 meas. best 5.3
IC50 2 meas.
Kd 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 Kd 7.0 7.0 100.0 1
Major prion protein
CHEMBL4869
 EC50 5.3 5.3 5000.0 1
Unchecked
CHEMBL612545
 EC50 5.16 5.16 6930.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target Kd = 100.0 nM 7.0 Dissociation constant of the compound 15293991
Major prion protein EC50 = 5000.0 nM 5.3 Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a ce... 12904059
Unchecked EC50 = 6930.0 nM 5.16 Inhibition of RML prion protein infected in mouse dividing ScN2a-cl3 cells expre... 24183589

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
9457238 10.1021/jm960814j Mus musculus 3
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4651402 Vero C1008 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
7392031 10.1021/jm00180a014 Felis catus 2
24183589 10.1016/j.bmc.2013.09.022 Unchecked 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
24183589 10.1016/j.bmc.2013.09.022 ADMET 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
17606915 10.1073/pnas.0609752104 Androgen receptor 1
15828831 10.1021/jm0491851 MES-SA 1
12904059 10.1021/jm034093h Major prion protein 1
9457238 10.1021/jm960814j Trypanothione reductase 1

Data from ChEMBL 36 via Core Engine