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Compound Detail

CHEMBL1092

TRIHEXYPHENIDYL HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092
Name TRIHEXYPHENIDYL HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key QDWJJTJNXAKQKD-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1490
Active Moiety CHEMBL1490

Known Names

Agitane Aparkane Artane Bentex Benzhexol hydrochloride Broflex Cyclodol Cyclodolum NSC-757357 Parcopane Romparkin Sedrina +5 more
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
20
Publications
17
Known Names
1
Mechanisms

Molecular Properties

301.5
MW (Da)
4.33
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1949
Availability Prescription
Chirality Racemic

Routes of Administration

Oral

Extended Properties

Molecular Formula C20H32ClNO
MW 337.94
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.43

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST Muscarinic acetylcholine receptor M1 ✓ ✓

Activity Summary

IC50 12 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL216
 IC50 8.89 8.89 1.3 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 IC50 8.17 8.17 6.7 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 IC50 7.99 7.99 10.3 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 IC50 7.73 7.73 18.6 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 IC50 7.58 7.58 26.3 1
Plasmodium falciparum
CHEMBL364
 IC50 5.6 5.1429 2511.9 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M1 IC50 = 1.3 nM 8.89 Evaluated for its binding affinity at human muscarinic receptor m1 by displaceme... 9873472
Muscarinic acetylcholine receptor M4 IC50 = 6.7 nM 8.17 Evaluated for its binding affinity at human muscarinic receptor m4 by the displa... 9873472
Muscarinic acetylcholine receptor M5 IC50 = 10.3 nM 7.99 Evaluated for its binding affinity at human muscarinic receptor m5 by the displa... 9873472
Muscarinic acetylcholine receptor M2 IC50 = 18.6 nM 7.73 Evaluated for its binding affinity at human muscarinic receptor m2 by displaceme... 9873472
Muscarinic acetylcholine receptor M3 IC50 = 26.3 nM 7.58 Evaluated for its binding affinity at human muscarinic receptor m3 by the displa... 9873472
Plasmodium falciparum IC50 = 2511.89 nM 5.6 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 6309.57 nM 5.2 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
9873472 10.1016/s0960-894x(98)00351-5 Muscarinic acetylcholine receptor M1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
17417631 10.1038/nchembio873 Unchecked 1
12873507 10.1016/s0960-894x(03)00535-3 Unchecked 1
9873472 10.1016/s0960-894x(98)00351-5 Muscarinic acetylcholine receptor M5 1
9873472 10.1016/s0960-894x(98)00351-5 Muscarinic acetylcholine receptor M4 1
9873472 10.1016/s0960-894x(98)00351-5 Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine