Compound Detail
CHEMBL4755906
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Basic Information
| ChEMBL ID | CHEMBL4755906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVNQIHOZJDHAGO-UFWORHAWSA-N |
1
Targets
6
Activities
2
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.3
MW (Da)
4.49
ALogP
5
HBA
2
HBD
83.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.1
Kd 1 meas. best 6.06
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1.2 | 10^6/M | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 800.0 | nM | 6.1 | Inhibition of beta-lactamase VIM4 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Kd | = | 863.0 | nM | 6.06 | Binding affinity to beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3)... | 32937203 |
| Unchecked | Ki | = | 3000.0 | nM | 5.52 | Inhibition of beta-lactamase VIM2 (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 3000.0 | nM | 5.52 | Inhibition of beta-lactamase L1 (unknown origin) expressed in Escherichia coli B... | 32937203 |
| Unchecked | Ki | = | 4000.0 | nM | 5.4 | Inhibition of beta-lactamase CphA (unknown origin) expressed in Escherichia coli... | 32937203 |
| Unchecked | Ki | = | 30000.0 | nM | 4.52 | 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 | 13 |
Data from ChEMBL 36 via Core Engine