Compound Detail
CHEMBL59213
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL59213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJTNFBDLVWOHKM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
2.25
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acetyltransferase Eis CHEMBL3879870 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Opioid receptor CHEMBL2094129 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acetyltransferase Eis | IC50 | = | 690.0 | nM | 6.16 | Inhibition of Mycobacterium tuberculosis Eis assessed as Eis-mediated kanamycin ... | 34825186 |
| Opioid receptor | IC50 | = | 5500.0 | nM | 5.26 | Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate recep... | 2888899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34825186 | 10.1039/D1MD00239B | Mycobacterium tuberculosis | 4 |
| 2888899 | 10.1021/jm00393a037 | Opioid receptor | 1 |
| 2888899 | 10.1021/jm00393a037 | Mus musculus | 1 |
| 2888899 | 10.1021/jm00393a037 | D(2) dopamine receptor | 1 |
| 2888899 | 10.1021/jm00393a037 | Adenylate cyclase type 5 | 1 |
| 2888899 | 10.1021/jm00393a037 | Rattus norvegicus | 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