Compound Detail
CHEMBL50019
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 | CHEMBL50019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRNTZKJLIWRPHG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
3.45
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.61
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.61 | 6.61 | 248.0 | 1 |
| MT4 CHEMBL388 | EC50 | 6.61 | 6.61 | 248.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
| MT4 CHEMBL388 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 248.0 | nM | 6.61 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| MT4 | EC50 | = | 248.0 | nM | 6.61 | Anti-HIV activity to reduce HIV-1-induced cytopathic effect by 50% in MT-4 cells... | 11425562 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2840.0 | nM | 5.55 | HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template... | 12431069 |
| MT4 | IC50 | = | 2840.0 | nM | 5.55 | Evaluated for the inhibition of replication of HIV-1 IIIB or HIV-2 (ROD) in MT-4... | 11425562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus 1 | 5 |
| 11425562 | 10.1016/s0960-894x(01)00304-3 | MT4 | 4 |
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 12431069 | 10.1021/jm020977+ | Unchecked | 1 |
| 11425562 | 10.1016/s0960-894x(01)00304-3 | Unchecked | 1 |
| 18687505 | 10.1016/j.ejmech.2008.05.036 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine