Compound Detail
CHEMBL1929456
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Basic Information
| ChEMBL ID | CHEMBL1929456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLOYGJOODVATBE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
1.28
ALogP
8
HBA
2
HBD
129.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15100.0 | nM | 4.82 | Inhibition of Escherichia coli PDHc-E1 expressed in Escherichia coli TB1 using s... | 22078411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22078411 | 10.1016/j.bmc.2011.10.035 | Unchecked | 1 |
| 22305934 | 10.1016/j.bmc.2012.01.019 | Fusarium graminearum | 1 |
| 22305934 | 10.1016/j.bmc.2012.01.019 | Rhizoctonia solani | 1 |
| 22305934 | 10.1016/j.bmc.2012.01.019 | Botrytis cinerea | 1 |
| 22305934 | 10.1016/j.bmc.2012.01.019 | Alternaria solani | 1 |
| 22305934 | 10.1016/j.bmc.2012.01.019 | Alternaria alternata | 1 |
| 22305934 | 10.1016/j.bmc.2012.01.019 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine