Compound Detail
CHEMBL5619642
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Basic Information
| ChEMBL ID | CHEMBL5619642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMCAEMSBXAHTPJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.38
ALogP
7
HBA
1
HBD
56.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Madurella mycetomatis CHEMBL6066062 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Madurella mycetomatis | IC50 | = | 900.0 | nM | 6.05 | Antifungal activity against Madurella mycetomatis MM55 by XTT assay | 39142148 |
| NIH3T3 | IC50 | = | 10700.0 | nM | 4.97 | Cytotoxicity against mouse NIH3T3 cells incubated for 5 days by MTT assay | 39142148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39142148 | 10.1016/j.ejmech.2024.116720 | Madurella mycetomatis | 11 |
| 39142148 | 10.1016/j.ejmech.2024.116720 | NIH3T3 | 1 |
| 39142148 | 10.1016/j.ejmech.2024.116720 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine