Compound Detail
CHEMBL4645560
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Basic Information
| ChEMBL ID | CHEMBL4645560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPYHTRZYISFCFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.98
ALogP
4
HBA
0
HBD
39.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase CHEMBL4349 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.245 | hr | Homo sapiens |
| T1/2 | 0.07333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acylethanolamine-hydrolyzing acid amidase | IC50 | = | 1.6 | nM | 8.8 | Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumari... | 31761726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31761726 | 10.1016/j.bmc.2019.115195 | ADMET | 2 |
| 31761726 | 10.1016/j.bmc.2019.115195 | N-acylethanolamine-hydrolyzing acid amidase | 1 |
Data from ChEMBL 36 via Core Engine