Compound Detail
CHEMBL59562
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Basic Information
| ChEMBL ID | CHEMBL59562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIJBJQDAZCEJGM-NRFANRHFSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
1.62
ALogP
6
HBA
4
HBD
133.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.09
Kd 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Kd | 9.8 | 9.21 | 0.2 | 2 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 9.09 | 8.245 | 0.8 | 4 |
| Homo sapiens CHEMBL372 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | Kd | = | 0.16 | nM | 9.8 | Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integri... | 10987423 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 0.81 | nM | 9.09 | Displacement of extracellular matrix protein fibrinogen from human integrin alph... | 22185640 |
| Integrin alpha-IIb/beta-3 | Kd | = | 2.4 | nM | 8.62 | Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry u... | 10987423 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of integrin alphaIIb-beta3 in platelet aggregation assay | 12477347 |
| Homo sapiens | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibition of the rate of ADP-stimulated human gel-filtered platelet ag... | 11020288 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human alphaIIb-beta3 integrin in platelet aggregation assay | 14640540 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of aggregation of human gel-filtered platelets measured by light tran... | 10987423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10987423 | 10.1016/s0960-894x(00)00385-1 | Integrin alpha-IIb/beta-3 | 4 |
| 11020288 | 10.1021/jm000133v | Integrin alpha-V/beta-3 | 2 |
| 12477347 | 10.1021/jm0203130 | Integrin alpha-V/beta-3 | 1 |
| 12477347 | 10.1021/jm0203130 | Integrin alpha-IIb/beta-3 | 1 |
| 11020288 | 10.1021/jm000133v | Rattus norvegicus | 1 |
| 11020288 | 10.1021/jm000133v | Homo sapiens | 1 |
| 14640540 | 10.1021/jm030146j | Integrin alpha-IIb/beta-3 | 1 |
| 14640540 | 10.1021/jm030146j | Integrin alpha-V/beta-3 | 1 |
| 22185640 | 10.1021/jm2013826 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine