Compound Detail
CHEMBL375865
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COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(CNC(=O)OC(C)C)C2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL375865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRGATOQONUWUDG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
589.6
MW (Da)
2.84
ALogP
10
HBA
1
HBD
134.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma CHEMBL613450 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of PAF-induced platelet aggregation in rabbit platelet-rich plasma | 15566310 |
| Human immunodeficiency virus 1 | IC50 | = | 25000.0 | nM | 4.6 | Antiviral activity against HIV1 BAL in human MDM cells | 15566310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566310 | 10.1021/jm040860g | Human immunodeficiency virus 1 | 1 |
| 15566310 | 10.1021/jm040860g | ADMET | 1 |
| 15566310 | 10.1021/jm040860g | Plasma | 1 |
Data from ChEMBL 36 via Core Engine