Compound Detail
CHEMBL396992
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Basic Information
| ChEMBL ID | CHEMBL396992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKAOMRCHWZCVNF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.2
MW (Da)
4.23
ALogP
4
HBA
0
HBD
33.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.39 | 6.105 | 410.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 410.0 | nM | 6.39 | Antiviral activity against HIV1 3B in CEM cells assessed as inhibition of virus-... | 17178227 |
| Human immunodeficiency virus 1 | EC50 | = | 1510.0 | nM | 5.82 | Antiviral activity against HIV1 3B in MT4 cells assessed as inhibition of virus-... | 17178227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17178227 | 10.1016/j.bmc.2006.12.003 | Unchecked | 3 |
| 17178227 | 10.1016/j.bmc.2006.12.003 | Human immunodeficiency virus 1 | 2 |
| 17178227 | 10.1016/j.bmc.2006.12.003 | MT4 | 1 |
| 17178227 | 10.1016/j.bmc.2006.12.003 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine