Compound Detail
CHEMBL260961
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Basic Information
| ChEMBL ID | CHEMBL260961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWJHHLDOTFKWMM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.25
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.09 | 6.0133 | 82.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of purified human recombinant IDO | 18318466 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of 2,3 dioxygenase | 20580138 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 87000.0 | nM | 4.06 | Inhibition of purified human recombinant IDO expressed in TREx cells | 18318466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18318466 | 10.1021/jm7014155 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 20580138 | 10.1016/j.ejmech.2010.05.057 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine