Compound Detail
CHEMBL416300
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Basic Information
| ChEMBL ID | CHEMBL416300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOKNIRNUINXDSR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
3.68
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Adrenergic receptor beta CHEMBL2094118 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide N-myristoyltransferase | IC50 | = | 4400.0 | nM | 5.36 | Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt) | 11459642 |
| Adrenergic receptor beta | IC50 | = | 38000.0 | nM | 4.42 | Compound was evaluated for its Beta adrenergic receptor blocking action | 11459642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459642 | 10.1016/s0960-894x(01)00319-5 | Peptide N-myristoyltransferase | 2 |
| 11459642 | 10.1016/s0960-894x(01)00319-5 | Candida albicans | 1 |
| 11459642 | 10.1016/s0960-894x(01)00319-5 | Adrenergic receptor beta | 1 |
Data from ChEMBL 36 via Core Engine