Compound Detail
CHEMBL387406
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O=C(NC(CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccc(-c2ccccc2[N+](=O)[O-])o1
Basic Information
| ChEMBL ID | CHEMBL387406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIXCGIWYNAHLMR-QRWMCTBCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.09
ALogP
7
HBA
4
HBD
151.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase L1 CHEMBL3326 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase L1 | Ki | = | 160.0 | nM | 6.8 | Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase | 16875814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16875814 | 10.1016/j.bmcl.2006.07.001 | Beta-lactamase L1 | 2 |
Data from ChEMBL 36 via Core Engine