Compound Detail
CHEMBL32386
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Basic Information
| ChEMBL ID | CHEMBL32386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGXSNAKNRJJSAP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.49
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 4500.0 | nM | 5.35 | Compound was evaluated for inhibition of p24 production in HIV infected peripher... | 9873370 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 18800.0 | nM | 4.73 | Compound was evaluated for enzymatic inhibitory activity against recombinant HIV... | 9873370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873370 | 10.1016/s0960-894x(98)00250-9 | ADMET | 2 |
| 9873370 | 10.1016/s0960-894x(98)00250-9 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine