Compound Detail
CHEMBL441438
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Basic Information
| ChEMBL ID | CHEMBL441438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHQCRUOBSQLFAS-INIZCTEOSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
0.60
ALogP
5
HBA
4
HBD
119.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.68
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Kd | 7.68 | 7.505 | 21.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of aggregation of human gel-filtered platelets measured by light tran... | 10987423 |
| Integrin alpha-IIb/beta-3 | Kd | = | 21.0 | nM | 7.68 | Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integri... | 10987423 |
| Integrin alpha-IIb/beta-3 | Kd | = | 47.0 | nM | 7.33 | Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry u... | 10987423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10987423 | 10.1016/s0960-894x(00)00385-1 | Integrin alpha-IIb/beta-3 | 4 |
Data from ChEMBL 36 via Core Engine