Compound Detail
CHEMBL32690
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Basic Information
| ChEMBL ID | CHEMBL32690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTCQDNOOLNVXBA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
5.35
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 5.77 | 5.235 | 1700.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.48 | 4.48 | 33100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 1700.0 | nM | 5.77 | Dose required to achieve 50% protection of MT-4 cells from the HIV-1 induced cyt... | 9154967 |
| MT4 | EC50 | = | 20000.0 | nM | 4.7 | Inhibitory activity against resistant HIV-1 strain MC639r was determined. | 9154967 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 33100.0 | nM | 4.48 | Compound concentration required to inhibit the HIV-1 recombinant Reverse transcr... | 9154967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154967 | 10.1021/jm960802y | MT4 | 4 |
| 9154967 | 10.1021/jm960802y | Glutathione S-transferase Mu 1 | 1 |
| 9154967 | 10.1021/jm960802y | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 9154967 | 10.1021/jm960802y | C8166 | 1 |
| 9154967 | 10.1021/jm960802y | H9 | 1 |
Data from ChEMBL 36 via Core Engine