Compound Detail
CHEMBL1688852
VALNEMULIN 🧪 Phase II
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🧪 Phase II
C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1688852 |
| Name | VALNEMULIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LLYYNOVSVPBRGV-MVNKZKPCSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
20
Publications
3
Known Names
Molecular Properties
564.8
MW (Da)
4.50
ALogP
7
HBA
3
HBD
118.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
EC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wolbachia CHEMBL4630676 | EC50 | 8.21 | 8.21 | 6.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 36.68 | % | Anas platyrhynchos |
| F | 74.0 | % | Gallus gallus |
| F | 100.0 | % | Rattus norvegicus |
| Fu | 0.05 | - | Mus musculus |
| T1/2 | 0.009667 | hr | Rattus norvegicus |
| T1/2 | 0.1667 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wolbachia | EC50 | = | 6.1 | nM | 8.21 | Antimicrobial activity against Wolbachia wMel infected in Drosophila melanogaste... | 30730745 |
Literature References
Data from ChEMBL 36 via Core Engine