Compound Detail
CHEMBL234077
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Basic Information
| ChEMBL ID | CHEMBL234077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUPSZJUMAFMRJR-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
4.42
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.7 | 7.25 | 2.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 1.99 | nM | 8.7 | Antiviral activity against HIV1 LAI assessed as inhibition of viral-induced cyto... | 17157017 |
| Human immunodeficiency virus 1 | IC50 | = | 39.8 | nM | 7.4 | Antiviral activity against HIV1 with RT 103N mutant assessed as inhibition of vi... | 17157017 |
| Human immunodeficiency virus 1 | IC50 | = | 63.1 | nM | 7.2 | Antiviral activity against HIV1 RT 181C mutant assessed as inhibition of viral-i... | 17157017 |
| Human immunodeficiency virus 1 | IC50 | = | 63.1 | nM | 7.2 | Antiviral activity against HIV1 RT 100I/103N mutant assessed as inhibition of vi... | 17157017 |
| Human immunodeficiency virus 1 | IC50 | = | 158.0 | nM | 6.8 | Antiviral activity against HIV1 RT 103N/181C mutant assessed as inhibition of vi... | 17157017 |
| Human immunodeficiency virus 1 | IC50 | = | 631.0 | nM | 6.2 | Antiviral activity against HIV1 RT 188L mutant assessed as inhibition of viral-i... | 17157017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17157017 | 10.1016/j.bmcl.2006.10.082 | Human immunodeficiency virus 1 | 6 |
| 17157017 | 10.1016/j.bmcl.2006.10.082 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine