Compound Detail
CHEMBL14126
BETANAPHTHOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL14126 |
| Name | BETANAPHTHOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWAZRIHNYRIHIV-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
Molecular Properties
144.2
MW (Da)
2.55
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 5 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Cytochrome P450 2A5 CHEMBL4085 | IC50 | 4.11 | 4.11 | 77983.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A2 | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory concentration against recombinant human cytochrome P450 1A2 | 15916432 |
| Cytochrome P450 2A5 | IC50 | = | 78000.0 | nM | 4.11 | Inhibitory concentration against mouse cytochrome P450 2A5 | 15658857 |
| Cytochrome P450 2A5 | IC50 | = | 77983.01 | nM | 4.11 | Inhibition of mouse CYP2A5 | 19110342 |
Literature References
Data from ChEMBL 36 via Core Engine