Compound Detail
CHEMBL4751855
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
Basic Information
| ChEMBL ID | CHEMBL4751855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCNHSOJCSFBKBC-GIJQJNRQSA-N |
1
Targets
6
Activities
2
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
2.90
ALogP
7
HBA
3
HBD
112.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.3
Kd 1 meas. best 6.41
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 2.6 | 10^6/M | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 389.0 | nM | 6.41 | Binding affinity to beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3)... | 32937203 |
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Inhibition of beta-lactamase VIM4 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of beta-lactamase VIM2 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 9000.0 | nM | 5.05 | Inhibition of beta-lactamase L1 (unknown origin) expressed in Escherichia coli B... | 32937203 |
| Unchecked | Ki | = | 13000.0 | nM | 4.89 | Inhibition of beta-lactamase CphA (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 27000.0 | nM | 4.57 | Inhibition of beta-lactamase NDM1 (unknown origin) expressed in Escherichia coli... | 32937203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32937203 | 10.1016/j.ejmech.2020.112720 | Unchecked | 14 |
Data from ChEMBL 36 via Core Engine