Compound Detail
CHEMBL299947
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Basic Information
| ChEMBL ID | CHEMBL299947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPERFTUIDKDGAV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
1.24
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of ADP-mediated platelet aggregation in human gel-filtered platelets | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80381-4 | Integrin alpha-IIb/beta-3 | 1 |
| - | 10.1016/S0960-894X(01)80380-2 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine