Compound Detail
CHEMBL346067
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Basic Information
| ChEMBL ID | CHEMBL346067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFXQFSOXMHZCPG-VQHVLOKHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
6.16
ALogP
4
HBA
0
HBD
21.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Canis familiaris CHEMBL373 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 11.0 | nM | 7.96 | In vitro inhibitory activity was evaluated against human squalence epoxidase | 14741258 |
| Canis familiaris | IC50 | = | 77.0 | nM | 7.11 | In vitro inhibitory activity was evaluated against dog 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