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Compound Detail

CHEMBL440294

PIPAMPERONE
🧪 Phase III
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🧪 Phase III
NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440294
Name PIPAMPERONE
Phase Phase III
Structure Type MOL
InChI Key AXKPFOAXAHJUAG-UHFFFAOYSA-N

Known Names

Floropipamide NSC-759178 Pipamperona Pipamperone Pipamperone hydrochloride Pipaneperone R 3345 R-3345
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
8
Known Names
7
Indications

Molecular Properties

375.5
MW (Da)
2.59
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -perone
USAN Year 1967

Extended Properties

Molecular Formula C21H30FN3O2
MW 375.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.94

Indications

Anxiety Dementia Depressive Disorder Depressive Disorder, Major Psychotic Disorders Psychotic Disorders Schizophrenia

ATC Classification

N05AD05
pipamperone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

IC50 2 meas. best 8.27
Ki 2 meas. best 8.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 Ki 8.86 8.44 1.4 2
Rattus norvegicus
CHEMBL376
 IC50 8.27 7.995 5.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 1.39 nM 8.86 Compound was evaluated for its activity at membrane-bound receptor (M+L+P fracti... 3746815
Rattus norvegicus IC50 = 5.37 nM 8.27 Compound was evaluated for its activity at membrane-bound receptor (M+L+P fracti... 3746815
Rattus norvegicus Ki = 9.53 nM 8.02 Compound was evaluated for its activity at solubilized receptor (CHAPS/salt-solu... 3746815
Rattus norvegicus IC50 = 19.05 nM 7.72 Compound was evaluated for its activity at solubilized receptor (CHAPS/salt-solu... 3746815

Literature References

PubMed DOI Target Context # Activities
3746815 10.1021/jm00159a017 Rattus norvegicus 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
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
18027916 10.1021/jm070524a No relevant target 2
36940609 10.1016/j.bmc.2023.117239 Chikungunya virus 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 1
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 1
37468498 10.1038/s41467-023-40064-9 Vascular endothelial growth factor receptor 2 1
18027916 10.1021/jm070524a Unchecked 1

Data from ChEMBL 36 via Core Engine