Compound Detail
CHEMBL366800
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Basic Information
| ChEMBL ID | CHEMBL366800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTDOXLKYCKOSHA-LSDHHAIUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.69
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.38
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 420.0 | nM | 6.38 | Antiviral activity against HIV1 infected in human H9 cells assessed inhibition o... | 9834179 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against Spodoptera frugiperda Sf9 cells assessed as reduction in ce... | 32359854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25941553 | 10.1021/acsmedchemlett.5b00007 | L6 | 3 |
| 8568830 | 10.1021/jm950387u | Human immunodeficiency virus type 1 integrase | 2 |
| 32359854 | 10.1016/j.bmcl.2020.127191 | Unchecked | 2 |
| 9834179 | 10.1021/np980136z | ADMET | 1 |
| 9834179 | 10.1021/np980136z | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine