Compound Detail
CHEMBL4587138
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Basic Information
| ChEMBL ID | CHEMBL4587138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDOJRVVYVHNGAO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.00
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.44
IC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.44 | 4.44 | 36000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.02 | 4.02 | 95090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 36000.0 | nM | 4.44 | Antiviral activity against HIV1 | 27658796 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 95090.0 | nM | 4.02 | Inhibition of recombinant HIV1 RT | 27658796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27658796 | 10.1016/j.bmc.2016.09.025 | Human immunodeficiency virus 1 | 1 |
| 27658796 | 10.1016/j.bmc.2016.09.025 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine