Compound Detail
CHEMBL5206713
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CCCCCOC(=O)C/N=C(\N)c1ccc(CC2c3nc4cc(C(=O)N(CCC(=O)OCC)c5ccccc5)ccc4n3CCN2CC(=O)OCCCCC)cc1
Basic Information
| ChEMBL ID | CHEMBL5206713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOCTXAWVOJAFTA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
781.0
MW (Da)
6.41
ALogP
11
HBA
1
HBD
158.7
PSA (Ų)
0.03
QED
3
Ro5 Violations
21
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma CHEMBL613589 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma | IC50 | = | 570.0 | nM | 6.24 | Anticoagulant activity in mouse plasma assessed inhibition of thrombin-induced p... | 34902735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34902735 | 10.1016/j.ejmech.2021.114035 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine