Compound Detail
CHEMBL74226
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL74226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMYCBNINQOTMAK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
4.57
ALogP
5
HBA
2
HBD
87.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.34
EC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.34 | 6.34 | 452.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.34 | 6.34 | 452.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 450.0 | nM | 6.35 | Effective concentration of the compound to inhibit HIV-1 mutant LAI replication ... | 15771411 |
| Human immunodeficiency virus 1 | IC50 | = | 452.0 | nM | 6.34 | Inhibitory activity against LAI strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 452.0 | nM | 6.34 | Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assesse... | 30223123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527705 | 10.1016/s0960-894x(01)00412-7 | Human immunodeficiency virus 1 | 5 |
| 15771411 | 10.1021/jm040127p | MT4 | 5 |
| 30223123 | 10.1016/j.ejmech.2018.09.013 | Human immunodeficiency virus type 1 reverse transcriptase | 5 |
Data from ChEMBL 36 via Core Engine