Compound Detail
CHEMBL77562
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Basic Information
| ChEMBL ID | CHEMBL77562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
210.1
MW (Da)
0.78
ALogP
3
HBA
3
HBD
111.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 67.0 | nM | 7.17 | Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... | 22047800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10476877 | 10.1016/s0960-894x(99)00403-5 | Tyrosine-protein kinase Lck | 1 |
| 17293110 | 10.1016/j.bmcl.2007.01.075 | Bacillus subtilis | 1 |
| 17293110 | 10.1016/j.bmcl.2007.01.075 | ADMET | 1 |
| 17293110 | 10.1016/j.bmcl.2007.01.075 | Escherichia coli | 1 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | Mus musculus | 1 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine