Compound Detail
CHEMBL5855562
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Nc1nc2ccc(-c3ccc(S(=O)(=O)C4CCNCC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5855562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNRBCPLTLJCAJE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
0.17
ALogP
10
HBA
5
HBD
215.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.77 | 9.115 | 0.2 | 2 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 9.27 | 9.27 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.171 | nM | 9.77 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Metallo-beta-lactamase type 2 | IC50 | = | 0.535 | nM | 9.27 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
| Unchecked | IC50 | = | 3.51 | nM | 8.46 | Enzyme Activity: The Class B enzyme activities were measured in the presence of ... | - |
Data from ChEMBL 36 via Core Engine