Compound Detail
CHEMBL355250
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Basic Information
| ChEMBL ID | CHEMBL355250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSMWRTSICDAGPU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
11
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.32
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 8.46 | 6.42 | 3.5 | 2 |
| Candida albicans CHEMBL366 | IC50 | 7.19 | 6.76 | 65.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 410.0 | ng.hr.mL-1 | Rattus norvegicus |
| T1/2 | 0.54 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 3.5 | nM | 8.46 | In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrat... | 12467623 |
| Candida albicans | IC50 | = | 65.0 | nM | 7.19 | In vitro antifungal activity against Candida albicans (CY1002) in YNBPB medium | 12467623 |
| Candida albicans | IC50 | = | 470.0 | nM | 6.33 | In vitro antifungal activity against Candida albicans (CY1002) in 80% calf serum | 12467623 |
| Peptide N-myristoyltransferase | IC50 | = | 42000.0 | nM | 4.38 | 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 |
| - | 10.1039/C2MD20211E | Nannizzia gypsea | 1 |
| - | 10.1039/C2MD20211E | Aspergillus fumigatus | 1 |
| - | 10.1039/C2MD20211E | Trichophyton rubrum | 1 |
| - | 10.1039/C2MD20211E | Kluyveromyces marxianus | 1 |
| - | 10.1039/C2MD20211E | Candida parapsilosis | 1 |
| - | 10.1039/C2MD20211E | Candida tropicalis | 1 |
| - | 10.1039/C2MD20211E | Cryptococcus neoformans | 1 |
| - | 10.1039/C2MD20211E | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine