Compound Detail
CHEMBL1688538
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Basic Information
| ChEMBL ID | CHEMBL1688538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHPHXPSNZMFXOX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.2
MW (Da)
2.31
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.7 | 5.915 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 200.0 | nM | 6.7 | Inhibition of HIV1 Rev expressed in african green monkey 5BD.1 cells assessed as... | 18625767 |
| Unchecked | EC50 | = | 7480.0 | nM | 5.13 | Inhibition of HIV1 Rev expressed in human HeLa cells co-expressing renilla lucif... | 18625767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18625767 | 10.1128/aac.00274-08 | Unchecked | 3 |
| 18625767 | 10.1128/aac.00274-08 | ADMET | 1 |
| 18625767 | 10.1128/aac.00274-08 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine