Compound Detail
CHEMBL117985
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Basic Information
| ChEMBL ID | CHEMBL117985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDBHFNUSPLDZQF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
2.01
ALogP
7
HBA
3
HBD
130.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 43.0 | nM | 7.37 | In vitro inhibition of gel filtered platelet aggregation induced by ADP. | 10999999 |
| Homo sapiens | IC50 | = | 43.0 | nM | 7.37 | In vitro inhibition of platelet aggregation by measuring its effect on the ADP-s... | 9871603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10999999 | 10.1021/jm000022w | Integrin alpha-IIb/beta-3 | 1 |
| 9871603 | 10.1016/s0960-894x(98)00047-x | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine