Compound Detail
CHEMBL2088494
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Basic Information
| ChEMBL ID | CHEMBL2088494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEGBUIHJZHQADU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL18442 |
| Active Moiety | CHEMBL18442 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.8
MW (Da)
0.42
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of HIV1 gp120 expressed in human HL2/3 cells assessed as Hl2/3 cell f... | 22858223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22858223 | 10.1016/j.ejmech.2012.07.030 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine