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Compound Detail

CHEMBL1529

DIPHENIDOL HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1529
Name DIPHENIDOL HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key AVZIYZHXZAYGJS-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL936
Active Moiety CHEMBL936

Known Names

Cephadol Diphenidol hcl Diphenidol hydrochloride NSC-23012 SK&F 478-A SK&F-478-A SK-478-A Vontrol
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
8
Known Names
1
Mechanisms

Molecular Properties

309.4
MW (Da)
4.19
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1967
Availability Discontinued
Chirality Achiral

Routes of Administration

Oral
USAN Year 1969

Extended Properties

Molecular Formula C21H28ClNO
MW 345.91
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.59

Mechanism of Action

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

Activity Summary

Ki 5 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 6.37 6.37 426.6 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 6.04 6.04 912.0 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 5.95 5.95 1122.0 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 5.89 5.89 1288.2 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 5.55 5.55 2818.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M1 Ki = 426.58 nM 6.37 Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... 18395442
Muscarinic acetylcholine receptor M4 Ki = 912.01 nM 6.04 Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... 18395442
Muscarinic acetylcholine receptor M3 Ki = 1122.02 nM 5.95 Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... 18395442
Muscarinic acetylcholine receptor M5 Ki = 1288.25 nM 5.89 Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... 18395442
Muscarinic acetylcholine receptor M2 Ki = 2818.38 nM 5.55 Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expres... 18395442

Literature References

PubMed DOI Target Context # Activities
1992110 10.1021/jm00105a003 Canis familiaris 9
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M1 1
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M2 1
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M3 1
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M4 1
18395442 10.1016/j.bmcl.2008.03.061 Muscarinic acetylcholine receptor M5 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine