Compound Detail
CHEMBL19075
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COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL19075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDKPVZLOOWYKEV-YPSJUKSRSA-N |
| Parent Compound | CHEMBL1178290 |
| Active Moiety | CHEMBL1178290 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
2.67
ALogP
6
HBA
3
HBD
139.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 170.0 | nM | 6.77 | Binding affinity against Coagulation factor X in an enzyme inhibition assay. | 10328312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10328312 | 10.1016/s0960-894x(99)00164-x | Coagulation factor X | 1 |
| 10328312 | 10.1016/s0960-894x(99)00164-x | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine