Compound Detail
CHEMBL423171
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CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)COc1ccc(C(=N)N)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL423171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKUOBJLZOKUNCX-GUYCJALGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
-1.35
ALogP
7
HBA
7
HBD
221.0
PSA (Ų)
0.13
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.2267 | 500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447740 | 10.1021/jm00101a017 | Unchecked | 3 |
| 1447740 | 10.1021/jm00101a017 | Integrin alpha-IIb/beta-3 | 1 |
| 1447740 | 10.1021/jm00101a017 | Integrin alpha-V/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine