Compound Detail
CHEMBL4796343
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Basic Information
| ChEMBL ID | CHEMBL4796343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYKPZUREQZJSSU-DEOSSOPVSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.10
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.34
Kd 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.92 | 6.035 | 120.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.34 | 5.865 | 460.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 120.0 | nM | 6.92 | Binding affinity to HIV1 capsid protein hexamer assessed as dissociation constan... | 34562701 |
| Human immunodeficiency virus 1 | EC50 | = | 460.0 | nM | 6.34 | Antiviral activity against HIV1 NL4-3 infected in human TZM-GFP cells assessed a... | 32438252 |
| Human immunodeficiency virus 1 | EC50 | = | 4110.0 | nM | 5.39 | Antiviral activity against HIV1 NL4-3 expressing NanoLuc-sec infected in human M... | 34562701 |
| Unchecked | Kd | = | 7150.0 | nM | 5.15 | Binding affinity to HIV1 capsid protein monomer assessed as dissociation constan... | 34562701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34562701 | 10.1016/j.bmc.2021.116414 | Unchecked | 2 |
| 32438252 | 10.1016/j.ejmech.2020.112427 | Human immunodeficiency virus 1 | 1 |
| 32438252 | 10.1016/j.ejmech.2020.112427 | TZM | 1 |
| 32438252 | 10.1016/j.ejmech.2020.112427 | Unchecked | 1 |
| 34562701 | 10.1016/j.bmc.2021.116414 | Human immunodeficiency virus 1 | 1 |
| 34562701 | 10.1016/j.bmc.2021.116414 | MT4 | 1 |
| 34562701 | 10.1016/j.bmc.2021.116414 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine