Compound Detail
CHEMBL61181
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Basic Information
| ChEMBL ID | CHEMBL61181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUAKTABSHMTKSV-PHDIDXHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.7
MW (Da)
0.06
ALogP
7
HBA
2
HBD
90.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.51 | 4.51 | 31100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 31100.0 | nM | 4.51 | Cytotoxicity was determined in the vero cells infected with HIV-I | 8423591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8423591 | 10.1021/jm00054a001 | Human immunodeficiency virus 1 | 2 |
| 8423591 | 10.1021/jm00054a001 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine