Compound Detail
CHEMBL80381
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
Basic Information
| ChEMBL ID | CHEMBL80381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRLJDTUHNPUPHU-KRWDZBQOSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.7
MW (Da)
2.80
ALogP
7
HBA
4
HBD
124.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Kd 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Kd | 8.25 | 8.25 | 5.6 | 1 |
| Homo sapiens CHEMBL372 | Kd | 8.25 | 8.25 | 5.6 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | Kd | = | 5.6 | nM | 8.25 | Measured by competition with fluorescent ligand L-762,745 for binding to resting... | - |
| Integrin alpha-IIb/beta-3 | Kd | = | 5.6 | nM | 8.25 | Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cy... | 10395482 |
| Homo sapiens | IC50 | = | 32.0 | nM | 7.5 | The compound was tested for the inhibition of platelet aggregation | - |
| Integrin alpha-IIb/beta-3 | IC50 | = | 32.0 | nM | 7.5 | The compound was tested in vivo for the inhibition of aggregation of human gel-f... | 10395482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395482 | 10.1021/jm980722p | Integrin alpha-IIb/beta-3 | 3 |
| - | 10.1016/S0960-894X(97)00120-0 | Homo sapiens | 2 |
| - | 10.1016/S0960-894X(97)00120-0 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine