Compound Detail
CHEMBL251939
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)CCN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL251939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNJNTWVQZAJTOG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
568.6
MW (Da)
4.89
ALogP
9
HBA
2
HBD
132.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.12
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Plasma CHEMBL613652 | EC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 4.9 | nM | 8.31 | Inhibition of human factor 10a | 18159923 |
| Plasma | EC50 | = | 7600.0 | nM | 5.12 | Anticoagulant activity against human plasma assessed as concentration required t... | 18159923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18159923 | 10.1021/jm701217r | Trypsin | 1 |
| 18159923 | 10.1021/jm701217r | Unchecked | 1 |
| 18159923 | 10.1021/jm701217r | Coagulation factor X | 1 |
| 18159923 | 10.1021/jm701217r | Plasma | 1 |
| 18159923 | 10.1021/jm701217r | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine