Compound Detail
CHEMBL5282738
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CO[C@H]1[C@@H](OC)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@@H]1OC(C(=O)NCCSSCCNC(C)=O)=C[C@@H](O)[C@H]1O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5282738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZSBMSLOIQDFIX-AFGQFFKVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
649.7
MW (Da)
-3.07
ALogP
15
HBA
6
HBD
242.8
PSA (Ų)
0.08
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospho-N-acetylmuramoyl-pentapeptide-transferase CHEMBL3559642 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of MraY in Escherichia coli | 27607900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27607900 | 10.1021/acs.jmedchem.6b00325 | Phospho-N-acetylmuramoyl-pentapeptide-transferase | 1 |
Data from ChEMBL 36 via Core Engine