Compound Detail
CHEMBL561350
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Basic Information
| ChEMBL ID | CHEMBL561350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAJSVUQLFFJUSX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1208337 |
| Active Moiety | CHEMBL1208337 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.4
MW (Da)
3.80
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6700.0 | nM | 5.17 | Displacement of C18-Aib-lucifer yellow from HIV1 envelope glycoprotein gp41 Fe(e... | 19534533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19534533 | 10.1021/jm900190q | Unchecked | 1 |
| 19534533 | 10.1021/jm900190q | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine