Compound Detail
CHEMBL89508
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Basic Information
| ChEMBL ID | CHEMBL89508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHVKUGBUCSPTEF-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
5.82
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Ki 3 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 6.31 | 6.31 | 490.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 6.31 | 6.31 | 490.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.2433 | 3890.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 490.0 | nM | 6.31 | Inhibitory constant against Fatty-acid amide hydrolase (FAAH) in rat liver | 10021942 |
| Fatty-acid amide hydrolase 1 | Ki | = | 490.0 | nM | 6.31 | Inhibition of FAAH | 18983142 |
| Fatty-acid amide hydrolase 1 | Ki | = | 490.0 | nM | 6.31 | Inhibition of rat FAAH assessed as conversion [14]C-oleamide to oleic acid | 21764305 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory concentration against Fatty-acid amide hydrolase (FAAH) in rat liver | 10021942 |
| Unchecked | IC50 | = | 3890.45 | nM | 5.41 | Inhibition of juvenile hormone esterase | 14604674 |
| Unchecked | IC50 | = | 4400.0 | nM | 5.36 | Tested for the ability to inhibit antennal esterases of Spodoptera littoralis wi... | - |
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | Tested for its ability to inhibit antennal esterases of Spodoptera littoralis wi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80722-8 | Unchecked | 2 |
| 10021942 | 10.1016/s0960-894x(98)00734-3 | Fatty-acid amide hydrolase 1 | 2 |
| 18983142 | 10.1021/jm800311k | Fatty-acid amide hydrolase 1 | 1 |
| 21764305 | 10.1016/j.bmcl.2011.06.096 | Fatty-acid amide hydrolase 1 | 1 |
| 14604674 | 10.1016/j.bmc.2003.08.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine