Compound Detail
CHEMBL88780
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Basic Information
| ChEMBL ID | CHEMBL88780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUMMRHDUGBAWSA-CHWSQXEVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
1.76
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide deformylase CHEMBL1795101 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide deformylase | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel co... | 14684298 |
| Peptide deformylase | IC50 | = | 20.0 | nM | 7.7 | Inhibition concentration against Escherichia coli peptide deformylase. | 12873500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684298 | 10.1016/j.bmcl.2003.10.013 | Peptide deformylase | 1 |
| 14684298 | 10.1016/j.bmcl.2003.10.013 | Escherichia coli | 1 |
| 14684298 | 10.1016/j.bmcl.2003.10.013 | Staphylococcus capitis | 1 |
| 12873500 | 10.1016/s0960-894x(03)00533-x | Peptide deformylase | 1 |
| 12873500 | 10.1016/s0960-894x(03)00533-x | Escherichia coli | 1 |
| 12873500 | 10.1016/s0960-894x(03)00533-x | Staphylococcus capitis | 1 |
Data from ChEMBL 36 via Core Engine