Compound Detail
CHEMBL100460
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Basic Information
| ChEMBL ID | CHEMBL100460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRXBLKKDUMOEFS-LSDHHAIUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.48
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COS-1 CHEMBL614563 | IC50 | 4.84 | 4.84 | 14310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COS-1 | IC50 | = | 14310.0 | nM | 4.84 | Inhibitory activity against HIV Tat-regulated Transactivation in COS cells. | 9685238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685238 | 10.1021/jm970819w | COS-1 | 8 |
Data from ChEMBL 36 via Core Engine