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Compound Detail

CHEMBL398615

METOPIMAZINE
🧪 Phase II
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🧪 Phase II
CS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398615
Name METOPIMAZINE
Phase Phase II
Structure Type MOL
InChI Key BQDBKDMTIJBJLA-UHFFFAOYSA-N

Known Names

EXP 999 EXP-999 Metopimazina Metopimazine
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
4
Publications
4
Known Names
1
Indications

Molecular Properties

445.6
MW (Da)
3.28
ALogP
6
HBA
1
HBD
83.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1967

Extended Properties

Molecular Formula C22H27N3O3S2
MW 445.61
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.69

Indications

Nausea

ATC Classification

A04AD05
metopimazine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIEMETICS AND ANTINAUSEANTS

Activity Summary

Ki 4 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 Ki 10.15 10.15 0.1 1
D(3) dopamine receptor
CHEMBL234
 Ki 9.21 9.21 0.6 2
Histamine H1 receptor
CHEMBL231
 Ki 8.08 8.08 8.4 1

Pharmacokinetic Data

Parameter Value Units Species
F 19.0 % Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 0.07 nM 10.15 Radioligand Binding Assay: The pharmacological profile of metopimazine, metopima... -
D(3) dopamine receptor Ki = 0.61 nM 9.21 Radioligand Binding Assay: The pharmacological profile of metopimazine, metopima... -
D(3) dopamine receptor Ki = 0.61 nM 9.21 Radioligand Binding Assay: The pharmacological profile of metopimazine, metopima... -
Histamine H1 receptor Ki = 8.4 nM 8.08 Radioligand Binding Assay: The pharmacological profile of metopimazine, metopima... -

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
17870541 10.1016/j.bmc.2007.08.060 Homo sapiens 1

Data from ChEMBL 36 via Core Engine