Compound Detail
CHEMBL4760679
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Basic Information
| ChEMBL ID | CHEMBL4760679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRUNHDBEHUZNAJ-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
1.68
ALogP
9
HBA
3
HBD
125.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.29 | 5.29 | 5130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5130.0 | nM | 5.29 | Antiviral activity against HIV1 infected in human PBMC assessed as reduction in ... | 27933889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Unchecked | 4 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | ADMET | 2 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Human immunodeficiency virus 1 | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | Hepatitis B virus | 1 |
| 27933889 | 10.1021/acs.jmedchem.6b01292 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine