Compound Detail
CHEMBL1076479
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Basic Information
| ChEMBL ID | CHEMBL1076479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTRIDVOOPAQEEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
120.2
MW (Da)
0.78
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Succinyl-diaminopimelate desuccinylase CHEMBL1075192 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Succinyl-diaminopimelate desuccinylase | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of Haemophilus influenzae recombinant DapE | 19822427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19822427 | 10.1016/j.bmcl.2009.09.077 | Succinyl-diaminopimelate desuccinylase | 1 |
Data from ChEMBL 36 via Core Engine