Compound Detail
CHEMBL340775
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Basic Information
| ChEMBL ID | CHEMBL340775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDMLLACYCDASEZ-HGYMEXNASA-N |
| Parent Compound | CHEMBL1161516 |
| Active Moiety | CHEMBL1161516 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.15
ALogP
6
HBA
5
HBD
110.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 200.0 | nM | 6.7 | Compound concentration required to reduce HIV-1 Integrase 3'-processing activity... | 9767632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994754 | 10.1021/acsmedchemlett.6b00339 | Amyloid-beta precursor protein | 7 |
| 9767632 | 10.1021/jm9707232 | Human immunodeficiency virus type 1 integrase | 1 |
| 9767632 | 10.1021/jm9707232 | MT4 | 1 |
| 9767632 | 10.1021/jm9707232 | KB | 1 |
| 9767632 | 10.1021/jm9707232 | ADMET | 1 |
| 27994754 | 10.1021/acsmedchemlett.6b00339 | Rattus norvegicus | 1 |
| 27994754 | 10.1021/acsmedchemlett.6b00339 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine