Compound Detail
CHEMBL404748
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Basic Information
| ChEMBL ID | CHEMBL404748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOYYTQHMNDWRCW-JGWLITMVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.1
MW (Da)
-3.35
ALogP
8
HBA
8
HBD
214.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.22 | 5.9967 | 60.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 60.0 | nM | 7.22 | Inhibition of yeast Fba | 18261903 |
| Unchecked | Ki | = | 170.0 | nM | 6.77 | Inhibition of Helicobacter pyroli recombinant Fba expressed in Escherichia coli ... | 18261903 |
| Unchecked | Ki | = | 100000.0 | nM | 4.0 | Inhibition of rabbit muscle Fba | 18261903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18261903 | 10.1016/j.bmcl.2008.01.076 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine