Compound Detail
CHEMBL542907
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Basic Information
| ChEMBL ID | CHEMBL542907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LASFPSNYAROXSJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191765 |
| Active Moiety | CHEMBL1191765 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
4.01
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.07
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.68 | 4.68 | 21100.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.07 | 4.07 | 84600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 21100.0 | nM | 4.68 | Cytotoxic effect in human peripheral blood monocyte cells(PBMC) | 1495008 |
| Human immunodeficiency virus 1 | EC50 | = | 84600.0 | nM | 4.07 | Inhibitory effect against HIV-1 in human peripheral blood monocyte cells(PBMC) (... | 1495008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1495008 | 10.1021/jm00093a005 | MT4 | 3 |
| 1495008 | 10.1021/jm00093a005 | Human immunodeficiency virus 1 | 3 |
| 1495008 | 10.1021/jm00093a005 | MCF7 | 3 |
| 1495008 | 10.1021/jm00093a005 | COLO 320DM | 3 |
| 1495008 | 10.1021/jm00093a005 | NON-PROTEIN TARGET | 3 |
Data from ChEMBL 36 via Core Engine