Compound Detail
CHEMBL5290013
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Basic Information
| ChEMBL ID | CHEMBL5290013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIIBXWXZJYUTGC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
1.85
ALogP
8
HBA
1
HBD
85.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Succinyl-diaminopimelate desuccinylase CHEMBL1075192 | IC50 | 4.3 | 4.3 | 50200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Succinyl-diaminopimelate desuccinylase | IC50 | = | 50200.0 | nM | 4.3 | Inhibition of Haemophilus influenzae DapE | 36764468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36764468 | 10.1016/j.bmcl.2023.129177 | Succinyl-diaminopimelate desuccinylase | 2 |
Data from ChEMBL 36 via Core Engine