Compound Detail
CHEMBL294029
RAVUCONAZOLE 🧪 Phase II
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🧪 Phase II
C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL294029 |
| Name | RAVUCONAZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OPAHEYNNJWPQPX-RCDICMHDSA-N |
3
Targets
3
Activities
1
Assay Types
6
PK Parameters
20
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
437.5
MW (Da)
4.24
ALogP
7
HBA
1
HBD
87.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cytochrome P450 51 inhibitor | INHIBITOR | Lanosterol 14-alpha demethylase | ✓ | ✓ |
Indications
Mycoses
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.56 | 5.56 | 2760.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.98 | 4.98 | 10370.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 10.0 | mg kg-1 | Canis lupus familiaris |
| T1/2 | - | hr | Homo sapiens |
| T1/2 | 4.5 | hr | Mus musculus |
| T1/2 | 8.8 | hr | Canis lupus familiaris |
| T1/2 | 96.0 | hr | Homo sapiens |
| T1/2 | 120.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 1010.0 | nM | 6.0 | Inhibition of CYP3A4 in human hepatocyte microsomes using testosterone as substr... | 35134679 |
| SARS-CoV-2 | IC50 | = | 2760.0 | nM | 5.56 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10370.0 | nM | 4.98 | Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assay | 24564525 |
Literature References
Data from ChEMBL 36 via Core Engine