Compound Detail
CHEMBL5778221
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
CCOC(=O)c1sc(N)nc1-c1cccc(-c2ccc(S(=O)(=O)NC(CN)CN)c(S(N)(=O)=O)c2-c2nnn[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL5778221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKAOOUXUHVNVNM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
622.7
MW (Da)
-0.37
ALogP
14
HBA
6
HBD
278.0
PSA (Ų)
0.12
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 10.13 | 10.13 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.88 | 9.8433 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 | IC50 | = | 0.074 | nM | 10.13 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Unchecked | IC50 | = | 0.133 | nM | 9.88 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
| Unchecked | IC50 | = | 0.133 | nM | 9.88 | Enzyme Activity: Determination of IC50 : The Class B enzyme activities were meas... | - |
| Unchecked | IC50 | = | 0.169 | nM | 9.77 | BIOLOGICAL ASSAYS: The Class B enzyme activities were measured in the presence o... | - |
Data from ChEMBL 36 via Core Engine