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Compound Detail

CHEMBL297302

BENPERIDOL
🧪 Phase III
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🧪 Phase III
O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL297302
Name BENPERIDOL
Phase Phase III
Structure Type MOL
InChI Key FEBOTPHFXYHVPL-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Anquil Benperidol Benquil MCN-JR-4584 NSC-170982 R-4584
4
Targets
4
Activities
1
Assay Types
11
PK Parameters
20
Publications
6
Known Names
5
Indications
1
Mechanisms

Molecular Properties

381.4
MW (Da)
3.77
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1963

Extended Properties

Molecular Formula C22H24FN3O2
MW 381.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.40

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dopamine D2 receptor antagonist ANTAGONIST D(2) dopamine receptor ✓ ✓

Indications

Psychotic Disorders Anxiety Dementia Depressive Disorder Schizophrenia

ATC Classification

N05AD07
benperidol
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

Ki 4 meas. best 10.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 Ki 10.57 10.57 0.0 1
D(4) dopamine receptor
CHEMBL219
 Ki 10.18 10.18 0.1 1
D(3) dopamine receptor
CHEMBL234
 Ki 9.54 9.54 0.3 1
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 8.92 8.92 1.2 1

Pharmacokinetic Data

Parameter Value Units Species
CL 8.3 mL.min-1.kg-1 Homo sapiens
CL 42.0 mL.min-1.g-1 Homo sapiens
MRT 7.5 hr Homo sapiens
T1/2 5.8 hr Homo sapiens
T1/2 0.055 hr Homo sapiens
T1/2 0.1733 hr Homo sapiens
T1/2 1.0 hr Homo sapiens
T1/2 0.73 hr Homo sapiens
T1/2 1.0 hr Homo sapiens
T1/2 1.0 hr Homo sapiens
T1/2 1.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 0.027 nM 10.57 Binding affinity to human dopamine D2 receptor by radioligand displacement assay 27364609
D(4) dopamine receptor Ki = 0.066 nM 10.18 Binding affinity to human dopamine D4 receptor by radioligand displacement assay 27364609
D(3) dopamine receptor Ki = 0.29 nM 9.54 Displacement of [125I]-IABN from human recombinant dopamine D3 receptor expresse... 27364609
5-hydroxytryptamine receptor 2A Ki = 1.2 nM 8.92 Binding affinity to 5HT2A receptor (unknown origin) 27364609

Literature References

PubMed DOI Target Context # Activities
31476 10.1021/jm00209a005 Rattus norvegicus 5
18426954 10.1124/dmd.108.020479 ADMET 4
31476 10.1021/jm00209a005 Mus musculus 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine