Compound Detail
CHEMBL2370659
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CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(N)=O)C(C)(C)S
Basic Information
| ChEMBL ID | CHEMBL2370659 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HOSCJHNHBCZQGX-QCQGSNGOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
621.7
MW (Da)
-4.29
ALogP
10
HBA
11
HBD
290.3
PSA (Ų)
0.03
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.6033 | 2200.0 | 3 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Unchecked | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of platelet aggregation in human-platelet rich plasma(h-PRP) induced ... | 1447740 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 4120.0 | nM | 5.38 | Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma | 1433203 |
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 |
| 1433203 | 10.1021/jm00099a026 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine