Compound Detail
CHEMBL347895
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Basic Information
| ChEMBL ID | CHEMBL347895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAVPHENICCAKQD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.41
ALogP
5
HBA
1
HBD
56.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 8.43 | 8.255 | 3.7 | 2 |
| Candida albicans CHEMBL366 | IC50 | 7.4 | 6.81 | 40.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 560.0 | ng.hr.mL-1 | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 3.7 | nM | 8.43 | Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concen... | 11844682 |
| Peptide N-myristoyltransferase | IC50 | = | 8.3 | nM | 8.08 | Inhibitory activity against Candida albicans N-Myristoyltransferase (CaNmt) asse... | 11844682 |
| Candida albicans | IC50 | = | 40.0 | nM | 7.4 | Antifungal activity expressed as inhibitory concentration against Candida albica... | 11844682 |
| Candida albicans | IC50 | = | 600.0 | nM | 6.22 | Antifungal activity expressed as inhibitory concentration against Candida albica... | 11844682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844682 | 10.1016/s0960-894x(01)00808-3 | Peptide N-myristoyltransferase | 3 |
| 11844682 | 10.1016/s0960-894x(01)00808-3 | Candida albicans | 2 |
| 11844682 | 10.1016/s0960-894x(01)00808-3 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine