Compound Detail
CHEMBL95027
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
CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)N[C@H]2CCC[C@@H](C)NC2=O)=C[C@H](O)[C@@H]1O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL95027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVEJXOKUHHMFKS-BPJITGRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
583.5
MW (Da)
-4.18
ALogP
13
HBA
7
HBD
253.8
PSA (Ų)
0.15
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospho-N-acetylmuramoyl-pentapeptide-transferase CHEMBL3957 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | = | 17.0 | nM | 7.77 | Inhibitory activity against translocase I | 14611838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14611838 | 10.1016/s0960-894x(03)00596-1 | Phospho-N-acetylmuramoyl-pentapeptide-transferase | 2 |
| 14611839 | 10.1016/s0960-894x(03)00597-3 | Phospho-N-acetylmuramoyl-pentapeptide-transferase | 1 |
| 14611839 | 10.1016/s0960-894x(03)00597-3 | Mycolicibacterium smegmatis | 1 |
| 14611839 | 10.1016/s0960-894x(03)00597-3 | Mycobacterium avium | 1 |
| 14611839 | 10.1016/s0960-894x(03)00597-3 | Mycobacterium intracellulare | 1 |
| 14611839 | 10.1016/s0960-894x(03)00597-3 | Mycobacterium kansasii | 1 |
| 14611838 | 10.1016/s0960-894x(03)00596-1 | Mycolicibacterium smegmatis | 1 |
| 14611838 | 10.1016/s0960-894x(03)00596-1 | Mycobacterium avium | 1 |
| 14611838 | 10.1016/s0960-894x(03)00596-1 | Mycobacterium intracellulare | 1 |
| 14611838 | 10.1016/s0960-894x(03)00596-1 | Mycobacterium kansasii | 1 |
Data from ChEMBL 36 via Core Engine