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Compound Detail

CHEMBL1206

ETHOPROPAZINE
💊 Approved Drug
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💊 Approved Drug
CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21

Basic Information

ChEMBL ID CHEMBL1206
Name ETHOPROPAZINE
Phase Approved
Structure Type MOL
InChI Key CDOZDBSBBXSXLB-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Profenamina Profenamine RP-3356 SC-2538 W-483
6
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
1
Indications

Molecular Properties

312.5
MW (Da)
5.02
ALogP
3
HBA
0
HBD
6.5
PSA (Ų)
0.77
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product

Extended Properties

Molecular Formula C19H24N2S
MW 312.48
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.11

Indications

Parkinson Disease

ATC Classification

N04AA05
profenamine
Level 1: NERVOUS SYSTEM
Level 2: ANTI-PARKINSON DRUGS

Activity Summary

IC50 11 meas. best 6.68
Ki 5 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholinesterase
CHEMBL1914
Ki 7.7 7.7 20.0 2
Butyrylcholinesterase
CHEMBL5077
Ki 7.7 7.7 20.0 1
Cholinesterase
CHEMBL1914
IC50 6.68 6.6 210.0 2
Acetylcholinesterase
CHEMBL220
IC50 6.58 6.55 260.0 4
Cholinesterase
CHEMBL5763
IC50 6.14 6.14 720.0 1
Chikungunya virus
CHEMBL4296563
IC50 4.8 4.8 16000.0 1
Solute carrier family 22 member 1
CHEMBL5685
IC50 4.69 4.69 20460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.5281/zenodo.13943903 ADMET 89
31158845 10.1038/s41586-019-1291-3 ADMET 62
21459491 10.1016/j.ejmech.2011.02.071 Acetylcholinesterase 5
28230985 10.1021/acs.jmedchem.6b01317 Solute carrier family 22 member 1 4
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
28689975 10.1016/j.bmc.2017.06.049 Unchecked 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
26372073 10.1016/j.bmc.2015.07.007 NCI-H1650 1
22961681 10.1124/dmd.112.047068 Bile salt export pump 1
28689975 10.1016/j.bmc.2017.06.049 Chikungunya virus 1
25226236 10.1021/jm501195e Cholinesterase 1
31708262 10.1016/j.bmcl.2019.126754 Cholinesterase 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
20020916 10.1080/15376510701857262 Phospholipidosis 1
15771436 10.1021/jm049510k Butyrylcholinesterase 1
15771436 10.1021/jm049510k Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine