Compound Detail
CHEMBL4438123
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
COc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4438123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRWJNEFUSKKADE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
6.01
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 6.57 | 6.57 | 272.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 272.0 | nM | 6.57 | Inhibition of human factor Xa using S-2222 as substrate preincubated for 30 mins... | 30446438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30446438 | 10.1016/j.bmc.2018.09.012 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine