Compound Detail
CHEMBL141272
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Basic Information
| ChEMBL ID | CHEMBL141272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARYHTUPFQTUBBG-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
128.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Ki 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Succinyl-diaminopimelate desuccinylase CHEMBL1075192 | Ki | 4.17 | 4.17 | 67000.0 | 1 |
| Succinyl-diaminopimelate desuccinylase CHEMBL1075192 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | Ki | = | 2500.0 | nM | 5.6 | Inhibitory activity against Escherichia coli AmpC beta-lactamase. | 9804697 |
| Beta-lactamase | IC50 | = | 10000.0 | nM | 5.0 | Compound was tested for its specificity against AmpC beta-lactamase | 9804697 |
| Succinyl-diaminopimelate desuccinylase | Ki | = | 67000.0 | nM | 4.17 | Inhibition of Haemophilus influenzae recombinant DapE by non-competitive binding... | 19822427 |
| Succinyl-diaminopimelate desuccinylase | IC50 | = | 92000.0 | nM | 4.04 | Inhibition of Haemophilus influenzae recombinant DapE | 19822427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804697 | 10.1021/jm980343w | Beta-lactamase | 2 |
| 19731939 | 10.1021/jm9009718 | Penicillin-binding protein 2x | 2 |
| 19822427 | 10.1016/j.bmcl.2009.09.077 | Succinyl-diaminopimelate desuccinylase | 2 |
| 11266183 | 10.1016/s0960-894x(01)00056-7 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 9804697 | 10.1021/jm980343w | Chymotrypsinogen A | 1 |
| 9804697 | 10.1021/jm980343w | Trypsin-2 | 1 |
| 9804697 | 10.1021/jm980343w | Homo sapiens | 1 |
| 19731939 | 10.1021/jm9009718 | D-alanyl-D-alanine carboxypeptidase | 1 |
Data from ChEMBL 36 via Core Engine