Compound Detail
CHEMBL1256761
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Basic Information
| ChEMBL ID | CHEMBL1256761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAMKNLFIHBMGQT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1358827 |
| Active Moiety | CHEMBL1358827 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
400.6
MW (Da)
5.56
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | IC50 | 5.01 | 5.01 | 9750.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.9 | 4.85 | 12589.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | IC50 | = | 9750.0 | nM | 5.01 | Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay | 23688559 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
| Plasmodium falciparum | IC50 | = | 15848.93 | nM | 4.8 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 2 |
| 23688559 | 10.1016/j.bmc.2013.04.069 | Bile acid receptor | 2 |
| 23688559 | 10.1016/j.bmc.2013.04.069 | Nuclear receptor subfamily 1 group I member 2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23688559 | 10.1016/j.bmc.2013.04.069 | CV-1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine