Compound Detail
CHEMBL4442026
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Basic Information
| ChEMBL ID | CHEMBL4442026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIASXOAQBPONKU-CQSZACIVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
2.00
ALogP
6
HBA
4
HBD
125.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Kd 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 410.0 | nM | 6.39 | Antiviral activity against HIV1 NL4-3 infected in human MAGIC-5B cells assessed ... | 31534649 |
| Unchecked | Kd | = | 17500.0 | nM | 4.76 | Binding affinity to HIV1 TAR RNA | 31534649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31534649 | 10.1039/C9MD00195F | Human immunodeficiency virus 1 | 1 |
| 31534649 | 10.1039/C9MD00195F | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine