Compound Detail
CHEMBL269131
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CCCN(CCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL269131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZWQZAAOTLGOMR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
631.7
MW (Da)
3.96
ALogP
10
HBA
0
HBD
125.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.43
EC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Plasma CHEMBL613450 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 370.0 | nM | 6.43 | Inhibition of PAF-induced platelet aggregation was determined using platelet ric... | 10841793 |
| Plasma | IC50 | = | 370.0 | nM | 6.43 | Inhibition of PAF-induced platelet aggregation in rabbit platelet-rich plasma | 15566310 |
| Platelet-activating factor receptor | IC50 | = | 380.0 | nM | 6.42 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
| Platelet-activating factor receptor | EC50 | = | 680.0 | nM | 6.17 | Inhibition of [3H]PAF binding to rabbit platelet membrane | 8478911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8478911 | 10.1021/jm00060a006 | Platelet-activating factor receptor | 2 |
| 10841793 | 10.1021/jm9911276 | Human immunodeficiency virus 1 | 2 |
| 10841793 | 10.1021/jm9911276 | Oryctolagus cuniculus | 1 |
| 15566310 | 10.1021/jm040860g | ADMET | 1 |
| 15566310 | 10.1021/jm040860g | Plasma | 1 |
| 15566310 | 10.1021/jm040860g | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine