Compound Detail
CHEMBL309403
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)N1CCC(OCC[C@@H]2CCCCN2C(=O)[C@H](CC(=O)O)NC2CCCCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL309403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCCSPLBHNLGJIP-FPOVZHCZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
2.29
ALogP
5
HBA
4
HBD
132.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 1.1 | nM | 8.96 | In vitro inhibition of human thrombin. | 12036353 |
| Serine protease 1 | Ki | = | 700.0 | nM | 6.16 | In vitro inhibition of human trypsin. | 12036353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036353 | 10.1021/jm011133d | Prothrombin | 1 |
| 12036353 | 10.1021/jm011133d | Serine protease 1 | 1 |
| 12036353 | 10.1021/jm011133d | Thrombin & trypsin | 1 |
Data from ChEMBL 36 via Core Engine