Compound Detail
CHEMBL82231
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
CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC1CCCCC1)C(N)=O)C(=O)CCCC1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL82231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWINFPFVCZSLBF-RTWAWAEBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.7
MW (Da)
0.90
ALogP
6
HBA
5
HBD
170.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 7.55 | 7.28 | 28.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of radiolabeled fibrinogen binding to activated human platelets. | 9651154 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 97.0 | nM | 7.01 | Ability to inhibit the aggregation of fixed human platelets | 9651154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651154 | 10.1021/jm9801096 | Integrin alpha-IIb/beta-3 | 5 |
Data from ChEMBL 36 via Core Engine