Compound Detail
CHEMBL592400
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CN(C)Cc1nccn1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL592400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBHNCZUUOXCFBP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
563.5
MW (Da)
3.42
ALogP
8
HBA
2
HBD
120.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 2.0 | nM | 8.7 | Inhibition of human factor 10a | 20100660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Coagulation factor X | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Prothrombin | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Plasma | 1 |
| 20100660 | 10.1016/j.bmcl.2010.01.011 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine