Compound Detail
CHEMBL313763
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Basic Information
| ChEMBL ID | CHEMBL313763 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IYMAXBFPHPZYIK-BQBZGAKWSA-N |
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
-3.47
ALogP
6
HBA
7
HBD
223.2
PSA (Ų)
0.11
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 7.12 | 6.1233 | 76.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Integrin alpha-V/beta-5 CHEMBL2096675 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 76.0 | nM | 7.12 | Inhibition of biotinylated fibrinogen binding to alphaIIb-beta3 integrin | - |
| Unchecked | IC50 | = | 510.0 | nM | 6.29 | Inhibition of fibronectin binding to GPIIb/IIIIa fibronectin receptor | - |
| Integrin alpha-IIb/beta-3 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Vitronectin binding to GPIIb/IIIIa Vitronectin receptor | - |
| Integrin alpha-IIb/beta-3 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of vWF binding to GPIIb/IIIIa receptor | - |
| Integrin alpha-V/beta-3 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of vitronectin binding to human alphaVbeta3 integrin after 2 hrs by E... | 24949551 |
| Integrin alpha-V/beta-5 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of vitronectin binding to human alphaVbeta5 integrin after 1 hr by EL... | 24949551 |
| Homo sapiens | IC50 | = | 87000.0 | nM | 4.06 | Inhibitory activity against ADP-mediated human platelet aggregation in human pla... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00476-3 | Integrin alpha-IIb/beta-3 | 3 |
| 24949551 | 10.1021/jm5004478 | Integrin alpha-V/beta-3 | 3 |
| 11543674 | 10.1021/jm0109154 | Integrin alpha-IIb/beta-3 | 1 |
| - | 10.1016/0960-894X(96)00476-3 | Homo sapiens | 1 |
| - | 10.1016/0960-894X(96)00476-3 | Unchecked | 1 |
| 11738566 | 10.1016/s0960-894x(01)00687-4 | Integrin alpha-V/beta-3 | 1 |
| 11738566 | 10.1016/s0960-894x(01)00687-4 | Integrin alpha-IIb/beta-3 | 1 |
| 14640540 | 10.1021/jm030146j | Integrin alpha-IIb/beta-3 | 1 |
| 14640540 | 10.1021/jm030146j | Integrin alpha-V/beta-3 | 1 |
| 24949551 | 10.1021/jm5004478 | Integrin alpha-V/beta-5 | 1 |
| 24949551 | 10.1021/jm5004478 | Integrin alpha-5/beta-1 | 1 |
| 24949551 | 10.1021/jm5004478 | Integrin alpha-IIb/beta-3 | 1 |
| 24949551 | 10.1021/jm5004478 | Unchecked | 1 |
| 25457125 | 10.1016/j.bmc.2014.09.056 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine