Compound Detail
CHEMBL3975325
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3975325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOHXZRIXRLZSBI-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
4.38
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.85
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 5.14 | 5.14 | 7240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 5A | Ki | = | 1400.0 | nM | 5.85 | Binding affinity to 5-HT5AR (unknown origin) assessed as inhibition constant | 33528252 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1400.0 | nM | 5.85 | Binding affinity to 5-HT2BR (unknown origin) assessed as inhibition constant | 33528252 |
| Tryptophan 2,3-dioxygenase | IC50 | = | 7240.0 | nM | 5.14 | Inhibition of TDO (unknown origin) assessed as reduction in N-formylkynurenine f... | 35938398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27923619 | 10.1016/j.bmcl.2016.11.067 | No relevant target | 3 |
| 27923619 | 10.1016/j.bmcl.2016.11.067 | Amyloid-beta precursor protein | 2 |
| 27923619 | 10.1016/j.bmcl.2016.11.067 | Cholinesterase | 2 |
| 35938398 | 10.1021/acs.jmedchem.2c00677 | Tryptophan 2,3-dioxygenase | 2 |
| 27923619 | 10.1016/j.bmcl.2016.11.067 | Acetylcholinesterase | 1 |
| 35938398 | 10.1021/acs.jmedchem.2c00677 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | 5-hydroxytryptamine receptor 5A | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine