Compound Detail
CHEMBL455700
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Basic Information
| ChEMBL ID | CHEMBL455700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGZAVZFKVHETRS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
0.93
ALogP
5
HBA
2
HBD
96.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.58 | 4.58 | 26450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 26450.0 | nM | 4.58 | Inhibition of HIV1 3B gp41 six-helix bundle formation after 30 mins by native-po... | 19053778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053778 | 10.1021/jm800869t | Unchecked | 2 |
| 19053778 | 10.1021/jm800869t | Human immunodeficiency virus 1 | 1 |
| 19053778 | 10.1021/jm800869t | MT2 | 1 |
Data from ChEMBL 36 via Core Engine