Compound Detail
CHEMBL397172
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Basic Information
| ChEMBL ID | CHEMBL397172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGCFINAKJWICAK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.18
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.75 | 6.2233 | 18.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 18.0 | nM | 7.75 | Antiviral activity against HIV1 NL43 in MT4 cells assessed as inhibition of vira... | 17910429 |
| Human immunodeficiency virus 1 | EC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against HIV1 with reverse transcriptase IRLL98 mutation in MT... | 17910429 |
| Human immunodeficiency virus 1 | EC50 | = | 5720.0 | nM | 5.24 | Antiviral activity against HIV1 with reverse transcriptase Y181C mutation in MT4... | 17910429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17910429 | 10.1021/jm070811e | Human immunodeficiency virus 1 | 5 |
| 17910429 | 10.1021/jm070811e | Unchecked | 3 |
| 17910429 | 10.1021/jm070811e | MT4 | 1 |
Data from ChEMBL 36 via Core Engine