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Compound Detail

CHEMBL86715

PROCYCLIDINE
💊 Approved Drug
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💊 Approved Drug
OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1

Basic Information

ChEMBL ID CHEMBL86715
Name PROCYCLIDINE
Phase Approved
Structure Type MOL
InChI Key WYDUSKDSKCASEF-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Elorine Kemadrine Lergine NSC-169103 Prociclidina Procyclidine Tricoloid Vagosin
3
Targets
3
Activities
2
Assay Types
6
PK Parameters
20
Publications
8
Known Names
1
Indications

Molecular Properties

287.4
MW (Da)
3.94
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1955
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -clidine

Extended Properties

Molecular Formula C19H29NO
MW 287.45
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.45

Indications

Parkinson Disease

ATC Classification

N04AA04
procyclidine
Level 1: NERVOUS SYSTEM
Level 2: ANTI-PARKINSON DRUGS

Activity Summary

IC50 2 meas. best 5.17
Ki 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
Ki 5.77 5.77 1700.0 1
Histamine H1 receptor
CHEMBL4701
IC50 5.17 5.17 6760.8 1
Histamine H1 receptor
CHEMBL231
IC50 4.75 4.75 17782.8 1

Pharmacokinetic Data

Parameter Value Units Species
CL 0.8 mL.min-1.kg-1 Homo sapiens
CL 0.86 mL.min-1.kg-1 Homo sapiens
CL 0.86 mL.min-1.kg-1 Homo sapiens
F 79.0 % Homo sapiens
MRT 14.0 hr Homo sapiens
T1/2 12.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
20070106 10.1021/jm901371v Homo sapiens 8
18426954 10.1124/dmd.108.020479 ADMET 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
10891117 10.1021/jm0000564 No relevant target 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
22793499 10.1021/jm300671m Histamine H1 receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
10891117 10.1021/jm0000564 ADMET 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
- 10.6019/CHEMBL3301361 No relevant target 1
23956101 10.1093/toxsci/kft176 Bile salt export pump 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine