Compound Detail
CHEMBL363548
CHLOROHALOPERIDOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL363548 |
| Name | CHLOROHALOPERIDOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QETRGFJTEVVJTC-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
2
PK Parameters
17
Publications
0
Known Names
Molecular Properties
392.3
MW (Da)
4.94
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.3
IC50 1 meas. best 5.29
Kd 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.3 | 7.51 | 5.0 | 2 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL1075228 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| N-acetyltransferase Eis CHEMBL3879870 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1.38 | 10'8/M/min | Homo sapiens |
| T1/2 | 0.01667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 5.012 | nM | 8.3 | Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell mem... | 31580666 |
| D(2) dopamine receptor | Ki | = | 5.012 | nM | 8.3 | Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell mem... | 31580666 |
| Alpha-1A adrenergic receptor | Ki | = | 150.0 | nM | 6.82 | Displacement of [125I]HEAT from human recombinant adrenergic alpha-1A receptor | 17668922 |
| D(2) dopamine receptor | Ki | = | 190.0 | nM | 6.72 | Displacement of [3H]spiperone from human recombinant dopamine D2 receptor | 17668922 |
| Melanin-concentrating hormone receptor 1 | Ki | = | 350.0 | nM | 6.46 | Displacement of [3H]T-226296 from rat recombinant MCH1 receptor | 17668922 |
| N-acetyltransferase Eis | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of Mycobacterium tuberculosis Eis assessed as Eis-mediated kanamycin ... | 34825186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31580666 | 10.1021/acs.jmedchem.9b00864 | D(2) dopamine receptor | 7 |
| 34825186 | 10.1039/D1MD00239B | Mycobacterium tuberculosis variant bovis | 4 |
| 34825186 | 10.1039/D1MD00239B | Mycolicibacterium smegmatis | 4 |
| 34825186 | 10.1039/D1MD00239B | Mycobacteroides abscessus | 4 |
| 34825186 | 10.1039/D1MD00239B | Mycobacterium intracellulare | 4 |
| 34825186 | 10.1039/D1MD00239B | Mycobacterium avium | 4 |
| 34825186 | 10.1039/D1MD00239B | Mycobacterium tuberculosis | 3 |
| 34825186 | 10.1039/D1MD00239B | Unchecked | 2 |
| 34825186 | 10.1039/D1MD00239B | J774.A1 | 1 |
| 15267235 | 10.1021/jm040762v | Melanin-concentrating hormone receptor 1 | 1 |
| 34825186 | 10.1039/D1MD00239B | A549 | 1 |
| 34825186 | 10.1039/D1MD00239B | HEK293 | 1 |
| 34825186 | 10.1039/D1MD00239B | Aminoglycoside 2'-N-acetyltransferase | 1 |
| 34825186 | 10.1039/D1MD00239B | N-acetyltransferase Eis | 1 |
| 17668922 | 10.1021/jm060383x | D(2) dopamine receptor | 1 |
| 17668922 | 10.1021/jm060383x | Alpha-1A adrenergic receptor | 1 |
| 17668922 | 10.1021/jm060383x | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine