Compound Detail
CHEMBL209737
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Basic Information
| ChEMBL ID | CHEMBL209737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPOOLXVTWFEFNO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.7
MW (Da)
3.41
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.59
Ki 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | Ki | 6.07 | 6.07 | 850.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | Ki | = | 850.0 | nM | 6.07 | Displacement of [125I]galanin from human GAL3 | 16789730 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2560.0 | nM | 5.59 | Inhibition of recombinant human IDO1 assessed as reduction in conversion of L-tr... | 30108875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9896-6 | Raji | 2 |
| - | 10.1007/s00044-011-9896-6 | NON-PROTEIN TARGET | 2 |
| - | 10.1007/s00044-011-9896-6 | HeLa | 2 |
| 16789730 | 10.1021/jm060001n | Galanin receptor type 3 | 1 |
| 30108875 | 10.1039/C7MD00226B | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine