Compound Detail
CHEMBL5284084
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CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(OC1OC(C(=O)Nc2ccc(C(O)C(O)C(=O)N/C=C/C(=O)NCC(=O)O)cc2)=CC(O)C1O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5284084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBBNZRFTJQHBFV-MMMJQDGTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
764.6
MW (Da)
-5.49
ALogP
17
HBA
11
HBD
360.6
PSA (Ų)
0.08
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Bacterial MraY | 27607900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27607900 | 10.1021/acs.jmedchem.6b00325 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine