Compound Detail
CHEMBL214264
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
N=C(N)c1ccc(CNC(=O)C2(NC(=O)[C@@H](Cc3ccccc3)NCC(=O)O)Cc3ccccc3C2)cc1
Basic Information
| ChEMBL ID | CHEMBL214264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPDDLHXHMWGSFN-XMMPIXPASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
1.53
ALogP
5
HBA
6
HBD
157.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 5.0 | 5.0 | 10050.0 | 1 |
| Vitamin K-dependent protein C CHEMBL4444 | IC50 | 4.95 | 4.95 | 11250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 10050.0 | nM | 5.0 | Inhibition of human thrombin activity | 16913694 |
| Vitamin K-dependent protein C | IC50 | = | 11250.0 | nM | 4.95 | Inhibition of human aPC | 16913694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913694 | 10.1021/jm0606950 | Prothrombin | 1 |
| 16913694 | 10.1021/jm0606950 | Vitamin K-dependent protein C | 1 |
Data from ChEMBL 36 via Core Engine