Compound Detail
CHEMBL189587
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CC(C)N1CCC(NC(=O)c2c(C#N)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
Basic Information
| ChEMBL ID | CHEMBL189587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNGBTQWWOMFMNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.1
MW (Da)
5.53
ALogP
7
HBA
1
HBD
87.1
PSA (Ų)
0.37
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 0.3 | nM | 9.52 | Binding affinity for human factor Xa | 15999990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15999990 | 10.1021/jm0490540 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine