Compound Detail
CHEMBL312330
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 | CHEMBL312330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEEGTQHWZIKDSO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
3.10
ALogP
5
HBA
3
HBD
78.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 410.0 | nM | 6.39 | The compound was tested for the inhibition of platelet aggregation | - |
| Integrin alpha-IIb/beta-3 | IC50 | = | 410.0 | nM | 6.39 | The compound was tested in vivo for the inhibition of aggregation of human gel-f... | 10395482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00120-0 | Homo sapiens | 2 |
| - | 10.1016/S0960-894X(97)00120-0 | Unchecked | 1 |
| 10395482 | 10.1021/jm980722p | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine