Compound Detail
CHEMBL4776037
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Basic Information
| ChEMBL ID | CHEMBL4776037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYMGJWBQKPISRU-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.11
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.0 | hr | Homo sapiens |
| T1/2 | 6.0 | hr | Mus musculus |
| T1/2 | 0.02667 | hr | Homo sapiens |
| T1/2 | 0.01 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 230.0 | nM | 6.64 | 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 | ADMET | 4 |
| 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