Compound Detail
CHEMBL4787305
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CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cn(C(C)C)c2ccccc12)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4787305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTRVQXBVOCZRJB-MHZLTWQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
5.55
ALogP
3
HBA
1
HBD
54.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 870.0 | nM | 6.06 | Antiviral activity against HIV1 NL4-3 infected in human TZM-GFP cells assessed a... | 32438252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine