Compound Detail
CHEMBL293277
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Basic Information
| ChEMBL ID | CHEMBL293277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
174.1
MW (Da)
2.43
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 4.695 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver carboxylesterase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibitory concentration against Triacylglycerol hydrolase | 15771430 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory concentration against KIAA1363 hydrolase | 15771430 |
| Unchecked | IC50 | = | 40700.0 | nM | 4.39 | Tested for the ability to inhibit antennal esterases of Spodoptera littoralis wi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36966660 | 10.1016/j.bmc.2023.117255 | Molecular identity unknown | 4 |
| 10560735 | 10.1016/s0960-894x(99)00548-x | NON-PROTEIN TARGET | 3 |
| - | 10.1016/S0960-894X(01)80722-8 | Unchecked | 2 |
| - | 10.1016/S0960-894X(01)80261-4 | Catharanthus roseus | 2 |
| 15771430 | 10.1021/jm049614v | Fatty-acid amide hydrolase 1 | 2 |
| 30975501 | 10.1016/j.bmc.2019.04.002 | No relevant target | 2 |
| 30975501 | 10.1016/j.bmc.2019.04.002 | NON-PROTEIN TARGET | 2 |
| 10021926 | 10.1016/s0960-894x(98)00726-4 | Helicobacter pylori | 1 |
| 15771430 | 10.1021/jm049614v | Unchecked | 1 |
| 15771430 | 10.1021/jm049614v | Liver carboxylesterase 1 | 1 |
| 14604674 | 10.1016/j.bmc.2003.08.023 | Unchecked | 1 |
| 30108990 | 10.1039/C8MD00107C | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine