Compound Detail
CHEMBL1170023
DIISOPROPYL MERCAPTO(PHENYL)METHYLPHOSPHONATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1170023 |
| Name | DIISOPROPYL MERCAPTO(PHENYL)METHYLPHOSPHONATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOPVXMUUBWYONO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
4.66
ALogP
4
HBA
1
HBD
35.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 CHEMBL1169593 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.52 | 5.31 | 3000.0 | 2 |
| Beta-lactamase L1 CHEMBL3326 | Ki | 4.8 | 4.75 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metallo-beta-lactamase type 2 | Ki | = | 250.0 | nM | 6.6 | Inhibition of Aeromonas hydrophila cphA | 20527888 |
| Unchecked | Ki | = | 3000.0 | nM | 5.52 | Inhibition of VIM4 in absence of Zn+ chelator | 20527888 |
| Unchecked | Ki | = | 8000.0 | nM | 5.1 | Inhibition of VIM4 in presence of Zn+ chelator | 20527888 |
| Beta-lactamase L1 | Ki | = | 16000.0 | nM | 4.8 | Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ ... | 20527888 |
| Beta-lactamase L1 | Ki | = | 20000.0 | nM | 4.7 | Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ c... | 20527888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20527888 | 10.1021/jm100213c | Unchecked | 2 |
| 20527888 | 10.1021/jm100213c | Beta-lactamase L1 | 2 |
| 20527888 | 10.1021/jm100213c | Metallo-beta-lactamase type 2 | 1 |
Data from ChEMBL 36 via Core Engine