Compound Detail
CHEMBL168395
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Basic Information
| ChEMBL ID | CHEMBL168395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRXOOTISAPABOK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
-0.07
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9000.0 | nM | 5.05 | Tested in vitro for anti HIV-1 activity against PBM cells | 10072683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072683 | 10.1021/jm980510s | Human immunodeficiency virus 1 | 2 |
| 10072683 | 10.1021/jm980510s | ADMET | 1 |
| 10072683 | 10.1021/jm980510s | Vero | 1 |
| 10072683 | 10.1021/jm980510s | CCRF-CEM | 1 |
| 10072683 | 10.1021/jm980510s | HepG2 | 1 |
| 10072683 | 10.1021/jm980510s | PC-3 | 1 |
| 10072683 | 10.1021/jm980510s | SK-MEL-28 | 1 |
| 10072683 | 10.1021/jm980510s | SK-MES-1 | 1 |
| 10072683 | 10.1021/jm980510s | MCF7 | 1 |
| 10072683 | 10.1021/jm980510s | LNCaP | 1 |
| 10072683 | 10.1021/jm980510s | 9L | 1 |
Data from ChEMBL 36 via Core Engine