Compound Detail
CHEMBL166769
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Basic Information
| ChEMBL ID | CHEMBL166769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMSZMWZRSMOLEJ-LBPRGKRZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
2.51
ALogP
4
HBA
1
HBD
50.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.18 | 5.18 | 6606.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.18 | 5.18 | 6606.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 6630.0 | nM | 5.18 | Concentration required for 50% protection of MT-4 cells against the cytopathic e... | 7877144 |
| Unchecked | IC50 | = | 6606.93 | nM | 5.18 | Inhibition of HIV reverse transcriptase | 20060625 |
| Human immunodeficiency virus 1 | IC50 | = | 6606.93 | nM | 5.18 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20110136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7877144 | 10.1021/jm00005a006 | Human immunodeficiency virus 1 | 1 |
| 20060625 | 10.1016/j.ejmech.2009.12.028 | Unchecked | 1 |
| 20110136 | 10.1016/j.ejmech.2010.01.002 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine