Compound Detail
CHEMBL422746
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Basic Information
| ChEMBL ID | CHEMBL422746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRJMZLJGDWHBQG-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.69
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 8.7 | 6.725 | 2.0 | 2 |
| Candida albicans CHEMBL366 | IC50 | 6.85 | 6.49 | 140.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 470.0 | ng.hr.mL-1 | Rattus norvegicus |
| T1/2 | 0.34 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrat... | 12467623 |
| Candida albicans | IC50 | = | 140.0 | nM | 6.85 | In vitro antifungal activity against Candida albicans (CY1002) in YNBPB medium | 12467623 |
| Candida albicans | IC50 | = | 740.0 | nM | 6.13 | In vitro antifungal activity against Candida albicans (CY1002) in 80% calf serum | 12467623 |
| Peptide N-myristoyltransferase | IC50 | = | 18000.0 | nM | 4.75 | In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using sub... | 12467623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12467623 | 10.1016/s0960-894x(02)00844-2 | Peptide N-myristoyltransferase | 3 |
| 12467623 | 10.1016/s0960-894x(02)00844-2 | Candida albicans | 2 |
| 12467623 | 10.1016/s0960-894x(02)00844-2 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine