Compound Detail
CHEMBL170807
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL170807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRSIHXSBXYQZDQ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.63
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 9.41 | 7.4 | 0.4 | 2 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 9.41 | 9.41 | 0.4 | 1 |
| Candida albicans CHEMBL366 | IC50 | 7.44 | 7.265 | 36.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 440.0 | ng.hr.mL-1 | Rattus norvegicus |
| T1/2 | 0.58 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 0.39 | nM | 9.41 | In vitro inhibitory activity against candida albicans Nmt (CaNmt) using substrat... | 12467623 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 0.39 | nM | 9.41 | Inhibition of Candida albicans N-myristoyltransferse | 17349719 |
| Candida albicans | IC50 | = | 36.0 | nM | 7.44 | In vitro antifungal activity against Candida albicans (CY1002) in YNBPB medium i... | 12467623 |
| Candida albicans | IC50 | = | 82.0 | nM | 7.09 | In vitro antifungal activity against Candida albicans (CY1002) in 80% calf serum | 12467623 |
| Peptide N-myristoyltransferase | IC50 | = | 4100.0 | nM | 5.39 | 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 | Rattus norvegicus | 3 |
| 12467623 | 10.1016/s0960-894x(02)00844-2 | Candida albicans | 2 |
| 17349719 | 10.1016/j.ejmech.2006.11.001 | Glycylpeptide N-tetradecanoyltransferase | 2 |
Data from ChEMBL 36 via Core Engine