Compound Detail
CHEMBL115243
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Basic Information
| ChEMBL ID | CHEMBL115243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKCLCGXPQILATA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
156.6
MW (Da)
2.04
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 250.0 | nM | 6.6 | Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... | 22047800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13215 | 10.1021/jm00211a010 | No relevant target | 4 |
| 24499135 | 10.1021/jm401808n | Staphylococcus aureus | 2 |
| 1527790 | 10.1021/jm00096a014 | No relevant target | 1 |
| 1527790 | 10.1021/jm00096a014 | Culicidae | 1 |
| 1527790 | 10.1021/jm00096a014 | ADMET | 1 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | Mus musculus | 1 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | No relevant target | 1 |
| 24499135 | 10.1021/jm401808n | Quinolone resistance protein NorA | 1 |
| 13215 | 10.1021/jm00211a010 | Neuron | 1 |
| 32031798 | 10.1021/acs.jmedchem.9b01746 | ATP-dependent Clp protease proteolytic subunit | 1 |
Data from ChEMBL 36 via Core Engine