Compound Detail
CHEMBL4594426
VT-1598 Phase I
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Phase I
N#Cc1ccc(COc2ccc(C#Cc3ccc(C(F)(F)[C@](O)(Cn4cnnn4)c4ccc(F)cc4F)nc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4594426 |
| Name | VT-1598 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | UDGASIIGNCBLSI-PMERELPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
2
Known Names
1
Indications
Molecular Properties
584.5
MW (Da)
4.88
ALogP
8
HBA
1
HBD
109.7
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Coccidioidomycosis
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Catalytic inhibition of Acanthamoeba castellanii CYP51 expressed in Escherichia ... | 38683753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37480712 | 10.1016/j.ejmech.2023.115658 | Candida albicans | 1 |
| 37480712 | 10.1016/j.ejmech.2023.115658 | Aspergillus fumigatus | 1 |
| 38683753 | 10.1021/acs.jmedchem.4c00303 | Acanthamoeba castellanii | 1 |
| 38683753 | 10.1021/acs.jmedchem.4c00303 | Acanthamoeba polyphaga | 1 |
| 38683753 | 10.1021/acs.jmedchem.4c00303 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine