Compound Detail
CHEMBL6054609
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Basic Information
| ChEMBL ID | CHEMBL6054609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXRXCNLMYXMJBB-GFMRDNFCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.99
ALogP
4
HBA
2
HBD
79.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
| Cytochrome P450 26A1 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP2... | - |
Data from ChEMBL 36 via Core Engine