Compound Detail
CHEMBL4643312
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CCCCc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3CS(=O)(=O)c2c(C)n[nH]c2C)cc1
Basic Information
| ChEMBL ID | CHEMBL4643312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTIKTKQHKFJLMY-VTYHHJSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
4.17
ALogP
5
HBA
1
HBD
75.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human NAAA | 32191459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32191459 | 10.1021/acs.jmedchem.0c00191 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
Data from ChEMBL 36 via Core Engine