Compound Detail
CHEMBL95446
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Basic Information
| ChEMBL ID | CHEMBL95446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NICSAUCHDSCZFE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
1.53
ALogP
4
HBA
5
HBD
128.3
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 4.19 | 4.19 | 64000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 64000.0 | nM | 4.19 | Antagonism of fibrinogen binding to a purified human fibrinogen receptor prepara... | 9288166 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of platelet glycoprotein alpha IIb beta-3 integrin in ELISA | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9288166 | 10.1021/jm970020k | Integrin alpha-IIb/beta-3 | 2 |
| - | 10.1016/0960-894X(95)00563-9 | Integrin alpha-IIb/beta-3 | 1 |
| - | 10.1016/0960-894X(95)00563-9 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine