Compound Detail
CHEMBL401412
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Basic Information
| ChEMBL ID | CHEMBL401412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYKDDVUDQHGXHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.7
MW (Da)
3.39
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2200.0 | nM | 5.66 | Anticoagulant activity assessed as inhibition of arachidonic acid induced rabbit... | 17197180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17197180 | 10.1016/j.bmcl.2006.12.038 | NON-PROTEIN TARGET | 4 |
Data from ChEMBL 36 via Core Engine