Compound Detail
CHEMBL2104700
MOPERONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2104700 |
| Name | MOPERONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AGAHNABIDCTLHW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
2
Publications
4
Known Names
1
Indications
Molecular Properties
355.4
MW (Da)
4.08
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Psychotic Disorders
ATC Classification
N05AD04
moperone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Activity Summary
Kd 1 meas. best 9.02
Ki 1 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.14 | 9.14 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Kd | 9.02 | 9.02 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1.0 | 10'9/M/min | Homo sapiens |
| T1/2 | 0.01217 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.7244 | nM | 9.14 | Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell mem... | 31580666 |
| D(2) dopamine receptor | Kd | = | 0.955 | nM | 9.02 | Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell mem... | 31580666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31580666 | 10.1021/acs.jmedchem.9b00864 | D(2) dopamine receptor | 7 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
Data from ChEMBL 36 via Core Engine