Compound Detail
CHEMBL576786
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O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
Basic Information
| ChEMBL ID | CHEMBL576786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEGYOKHGGFKMCX-UHFFFAOYSA-N |
8
Targets
38
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
4.20
ALogP
9
HBA
1
HBD
129.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 38 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 8.7 | 7.3856 | 2.0 | 18 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.4 | 6.0567 | 4.0 | 3 |
| Monoglyceride lipase CHEMBL5774 | IC50 | 8.22 | 8.12 | 6.0 | 7 |
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Monoglyceride lipase CHEMBL3321 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.01 | 6.01 | 974.0 | 1 |
| Monoacylglycerol lipase ABHD6 CHEMBL5010 | IC50 | 5.49 | 5.49 | 3270.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 5.4 | 5.365 | 4000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine