Compound Detail
CHEMBL6018534
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Basic Information
| ChEMBL ID | CHEMBL6018534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVEQNBQUDVAPCP-DAFNUICNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
5.08
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 4.37 | 4.37 | 42500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 1580.0 | nM | 5.8 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
| Cytochrome P450 26A1 | IC50 | = | 42500.0 | nM | 4.37 | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP2... | - |
Data from ChEMBL 36 via Core Engine