Compound Detail
CHEMBL160746
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Basic Information
| ChEMBL ID | CHEMBL160746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYLCPVBRDIIJIF-ZRDIBKRKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.7
MW (Da)
7.33
ALogP
4
HBA
0
HBD
21.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 120.0 | nM | 6.92 | In vitro inhibitory activity was evaluated against human squalence epoxidase | 14741258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741258 | 10.1016/j.bmcl.2003.11.072 | Homo sapiens | 1 |
| 14741258 | 10.1016/j.bmcl.2003.11.072 | Canis familiaris | 1 |
| 14741258 | 10.1016/j.bmcl.2003.11.072 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine