Compound Detail
CHEMBL82519
PRIMAPERONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL82519 |
| Name | PRIMAPERONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LUKOGYUKYPZBFP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
10
Publications
2
Known Names
Molecular Properties
249.3
MW (Da)
3.27
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 6.21
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| N-acetyltransferase Eis CHEMBL3879870 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 140.0 | nM | 6.85 | Tested for binding affinity against 5-hydroxytryptamine 2 receptor from rat fron... | 8355253 |
| N-acetyltransferase Eis | IC50 | = | 620.0 | nM | 6.21 | Inhibition of Mycobacterium tuberculosis Eis assessed as Eis-mediated kanamycin ... | 34825186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34825186 | 10.1039/D1MD00239B | Mycobacterium tuberculosis | 4 |
| 8355253 | 10.1021/jm00069a010 | Serotonin 2 (5-HT2) receptor | 2 |
| 8355253 | 10.1021/jm00069a010 | 5-hydroxytryptamine receptor 1A | 1 |
| 8355253 | 10.1021/jm00069a010 | 5-hydroxytryptamine receptor 2C | 1 |
| 34825186 | 10.1039/D1MD00239B | N-acetyltransferase Eis | 1 |
| 34825186 | 10.1039/D1MD00239B | Mycolicibacterium smegmatis | 1 |
| 34825186 | 10.1039/D1MD00239B | Mycobacteroides abscessus | 1 |
| 34825186 | 10.1039/D1MD00239B | Mycobacterium intracellulare | 1 |
| 34825186 | 10.1039/D1MD00239B | Mycobacterium avium | 1 |
| 34825186 | 10.1039/D1MD00239B | Mycobacterium tuberculosis variant bovis | 1 |
Data from ChEMBL 36 via Core Engine