Compound Detail
CHEMBL82440
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL82440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTFGHMZUJMRWBK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
254.1
MW (Da)
2.56
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of PDF2 | 17201406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182852 | 10.1016/s0960-894x(02)00505-x | Molecular identity unknown | 1 |
| 12182852 | 10.1016/s0960-894x(02)00505-x | V79 | 1 |
| 17201406 | 10.1021/jm060910c | Peptide deformylase, mitochondrial | 1 |
| 17201406 | 10.1021/jm060910c | Bacillus subtilis | 1 |
| 17201406 | 10.1021/jm060910c | Peptide deformylase 1A, chloroplastic/mitochondrial | 1 |
| 17201406 | 10.1021/jm060910c | Peptide deformylase | 1 |
| 17201406 | 10.1021/jm060910c | Escherichia coli | 1 |
| 17201406 | 10.1021/jm060910c | Unchecked | 1 |
| 17481907 | 10.1016/j.bmc.2007.04.005 | No relevant target | 1 |
| 17481907 | 10.1016/j.bmc.2007.04.005 | Albumin | 1 |
| 24467709 | 10.1021/jm401432c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine