Compound Detail
CHEMBL389953
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CCN(CC)C(=O)NCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL389953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNDVEPUSBWZUPX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
602.7
MW (Da)
2.76
ALogP
9
HBA
1
HBD
128.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 40000.0 | nM | 4.4 | 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