Compound Detail
CHEMBL298817
ALBACONAZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL298817 |
| Name | ALBACONAZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UHIXWHUVLCAJQL-MPBGBICISA-N |
7
Targets
7
Activities
1
Assay Types
1
PK Parameters
20
Publications
5
Known Names
3
Indications
1
Mechanisms
Molecular Properties
431.8
MW (Da)
3.07
ALogP
7
HBA
1
HBD
85.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Lanosterol 14-alpha demethylase inhibitor | INHIBITOR | Lanosterol 14-alpha demethylase | ✓ | ✓ |
Indications
Onychomycosis Vulvovaginitis Tinea Pedis
Activity Summary
IC50 7 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol 14-alpha demethylase CHEMBL1075110 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.5 | 4.5 | 31700.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.46 | 4.46 | 34860.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 4.22 | 4.22 | 60300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine