Compound Detail
CHEMBL4784890
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Basic Information
| ChEMBL ID | CHEMBL4784890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCDLZRNCWDUXPK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
1.38
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
EC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.51 | 8.51 | 3.1 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3.1 | nM | 8.51 | Anti-HIV-1 activity against HTLV-3B infected in human MT2 cells assessed as redu... | 31893549 |
| Unchecked | IC50 | = | 630.0 | nM | 6.2 | Inhibition of wild type recombinant HIV-1 subtype B BH10 p66/p51 reverse transcr... | 31893549 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 630.0 | nM | 6.2 | Inhibition of HIV1 reverse transcriptase | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31893549 | 10.1016/j.ejmech.2019.111987 | Unchecked | 7 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 31893549 | 10.1016/j.ejmech.2019.111987 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine