Compound Detail
CHEMBL598974
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Basic Information
| ChEMBL ID | CHEMBL598974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGVPWFIJGMBNPP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
4.43
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.39 | 6.255 | 410.0 | 2 |
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-yl... | 27989417 |
| Cytosolic phospholipase A2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of cPLA2 from human platelets by RP-HPLC | 20005725 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 760.0 | nM | 6.12 | Inhibition of FAAH from rat brain microsomes by RP-HPLC | 20005725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20005725 | 10.1016/j.bmc.2009.11.028 | Cytosolic phospholipase A2 | 1 |
| 20005725 | 10.1016/j.bmc.2009.11.028 | Fatty-acid amide hydrolase 1 | 1 |
| 20005725 | 10.1016/j.bmc.2009.11.028 | Unchecked | 1 |
| 27989417 | 10.1016/j.bmc.2016.11.025 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine