Compound Detail
CHEMBL557202
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
Cl.N=C(N)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL557202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BARMGUXMXTZKDR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1196507 |
| Active Moiety | CHEMBL1196507 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.4
MW (Da)
4.48
ALogP
6
HBA
3
HBD
109.7
PSA (Ų)
0.20
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | In vitro inhibition of thrombin-induced platelet aggregation. | 7837237 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor. | 7837237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837237 | 10.1021/jm00001a008 | Unchecked | 1 |
| 7837237 | 10.1021/jm00001a008 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine