Compound Detail
CHEMBL23401
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Basic Information
| ChEMBL ID | CHEMBL23401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFQBSPAPUUVFBQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
3.09
ALogP
2
HBA
2
HBD
81.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 7.64 | 6.3533 | 23.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 23.0 | nM | 7.64 | Inhibition of HIV-1 RT using rC-dG as template | 7683725 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 1390.0 | nM | 5.86 | Inhibition single mutant of HIV-1 RT (Y181C) | 7683725 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 2760.0 | nM | 5.56 | Inhibition single mutant of HIV-1 RT (K103 N) | 7683725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7683725 | 10.1021/jm00061a022 | Human immunodeficiency virus type 1 protease | 3 |
| 7683725 | 10.1021/jm00061a022 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine