Compound Detail
CHEMBL119249
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N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL119249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXZIYNDDAWDJNV-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
2.84
ALogP
5
HBA
3
HBD
125.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 380.0 | nM | 6.42 | Compound was evaluated for the inhibition of human Coagulation factor Xa | 10479288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479288 | 10.1021/jm990040h | Coagulation factor X | 1 |
| 10479288 | 10.1021/jm990040h | Prothrombin | 1 |
| 10479288 | 10.1021/jm990040h | Trypsin II | 1 |
Data from ChEMBL 36 via Core Engine