Compound Detail
CHEMBL301315
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Basic Information
| ChEMBL ID | CHEMBL301315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVIFNQSMGQMTKX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
2
PK Parameters
14
Publications
1
Known Names
Molecular Properties
368.4
MW (Da)
3.87
ALogP
6
HBA
1
HBD
73.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Candida albicans CHEMBL366 | IC50 | 5.8 | 5.8 | 1600.0 | 2 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL2169722 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 330.0 | ng.hr.mL-1 | Rattus norvegicus |
| T1/2 | 0.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt) | 11459642 |
| Peptide N-myristoyltransferase | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against Candida albicans N-Myristoyltransferase (CaNmt) asse... | 11844682 |
| Candida albicans | IC50 | = | 1600.0 | nM | 5.8 | Antifungal activity against Candida albicans CY1002 | 11459642 |
| Candida albicans | IC50 | = | 1600.0 | nM | 5.8 | Antifungal activity expressed as inhibitory concentration against Candida albica... | 11844682 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of Plasmodium falciparum N-myristoyltransferase using [3H]-myristoyl-... | 23035716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459642 | 10.1016/s0960-894x(01)00319-5 | Peptide N-myristoyltransferase | 2 |
| 11844682 | 10.1016/s0960-894x(01)00808-3 | Peptide N-myristoyltransferase | 2 |
| 11844682 | 10.1016/s0960-894x(01)00808-3 | Candida albicans | 2 |
| 11844682 | 10.1016/s0960-894x(01)00808-3 | Rattus norvegicus | 2 |
| 11459642 | 10.1016/s0960-894x(01)00319-5 | Candida albicans | 1 |
| 20615585 | 10.1016/j.ejmech.2010.03.007 | Candida tropicalis | 1 |
| 20615585 | 10.1016/j.ejmech.2010.03.007 | Candida albicans | 1 |
| 20615585 | 10.1016/j.ejmech.2010.03.007 | Candida parapsilosis | 1 |
| 20615585 | 10.1016/j.ejmech.2010.03.007 | Cryptococcus neoformans | 1 |
| 20615585 | 10.1016/j.ejmech.2010.03.007 | Aspergillus fumigatus | 1 |
| 20615585 | 10.1016/j.ejmech.2010.03.007 | Nannizzia gypsea | 1 |
| 20615585 | 10.1016/j.ejmech.2010.03.007 | Trichophyton rubrum | 1 |
| 23035716 | 10.1021/jm301160h | Glycylpeptide N-tetradecanoyltransferase 1 | 1 |
| 23035716 | 10.1021/jm301160h | Glycylpeptide N-tetradecanoyltransferase | 1 |
Data from ChEMBL 36 via Core Engine