Compound Detail
CHEMBL231902
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Basic Information
| ChEMBL ID | CHEMBL231902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDBNRWYIGALRQV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
3.65
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.4 | 6.4 | 398.0 | 1 |
| MT4 CHEMBL388 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 398.0 | nM | 6.4 | Antiviral activity against HIV1 LAI assessed as inhibition of viral-induced cyto... | 17157017 |
| MT4 | IC50 | = | 500.0 | nM | 6.3 | Anti-HIV-1 activity against LAI strain in MT-4 cells by the MTT method | 14643315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643315 | 10.1016/j.bmcl.2003.09.045 | MT4 | 3 |
| 14643315 | 10.1016/j.bmcl.2003.09.045 | NON-PROTEIN TARGET | 1 |
| 17157017 | 10.1016/j.bmcl.2006.10.082 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine