Compound Detail
CHEMBL424316
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\O)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL424316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDICUCDVBDXDPZ-RPBOFIJWSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
1.24
ALogP
6
HBA
4
HBD
157.4
PSA (Ų)
0.14
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Ki 1 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Prothrombin CHEMBL204 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.46 | nM | 9.34 | Competitive kinetic for thrombin inhibition Ki was determined | 11738570 |
| Prothrombin | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibitory activity against hydrolysis of human alpha thrombin | 11738570 |
| Prothrombin | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibitory activity against hydrolysis of thrombin was determined | 11738570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738570 | 10.1016/s0960-894x(01)00667-9 | Prothrombin | 4 |
| 11738570 | 10.1016/s0960-894x(01)00667-9 | Mus musculus | 2 |
| 11738570 | 10.1016/s0960-894x(01)00667-9 | Tissue-type plasminogen activator | 1 |
| 11738570 | 10.1016/s0960-894x(01)00667-9 | Plasminogen | 1 |
| 11738570 | 10.1016/s0960-894x(01)00667-9 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine