Compound Detail
CHEMBL53849
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 | CHEMBL53849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVJVMNUTCGTBCH-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.66
ALogP
6
HBA
2
HBD
80.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | IC50 | = | 98.0 | nM | 7.01 | Compound was evaluated for its Beta adrenergic receptor blocking action | 11459642 |
| Peptide N-myristoyltransferase | IC50 | = | 980.0 | nM | 6.01 | Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt) | 11459642 |
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 980.0 | nM | 6.01 | Inhibition of candida N-myristoyltransferase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459642 | 10.1016/s0960-894x(01)00319-5 | Peptide N-myristoyltransferase | 2 |
| - | 10.1007/s00044-008-9120-5 | Glycylpeptide N-tetradecanoyltransferase | 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