Compound Detail
CHEMBL540024
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Basic Information
| ChEMBL ID | CHEMBL540024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZHPLAIYBVMCKQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL288521 |
| Active Moiety | CHEMBL288521 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
-0.07
ALogP
6
HBA
3
HBD
116.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Kd 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Kd | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 250.0 | nM | 6.6 | Inhibition of aggregation of human gel-filtered platelets was measured by light ... | 9191954 |
| Integrin alpha-IIb/beta-3 | Kd | = | 590.0 | nM | 6.23 | Displacement of L-736,622 from purified resting Fibrinogen Receptor | 9191954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191954 | 10.1021/jm9608117 | Integrin alpha-IIb/beta-3 | 2 |
| 9191954 | 10.1021/jm9608117 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine