Compound Detail
CHEMBL461491
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Basic Information
| ChEMBL ID | CHEMBL461491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHXHTRJCZOTMQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
4.56
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | IC50 | 4.22 | 4.22 | 60400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | IC50 | = | 60400.0 | nM | 4.22 | Cytotoxicity against human H9 cells | 11473435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11473435 | 10.1021/np0101189 | H9 | 1 |
| 11473435 | 10.1021/np0101189 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine