Compound Detail
CHEMBL430623
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Basic Information
| ChEMBL ID | CHEMBL430623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTGFADZNCCTVMP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
3.09
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.55 | 6.355 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 16.0 | nM | 7.8 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 280.0 | nM | 6.55 | In vitro for inhibitory activity against HIV-1 Reverse Transcriptase | 7681480 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 700.0 | nM | 6.16 | Inhibitory activity against HIV-1 reverse transcriptase (HIV-RT) | 7689109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7681480 | 10.1021/jm00058a009 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7689109 | 10.1021/jm00069a011 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine