Compound Detail
CHEMBL4465170
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Basic Information
| ChEMBL ID | CHEMBL4465170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBDXJWMLJSOEGR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
3.26
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 2 CHEMBL2189159 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
| Indoleamine 2,3-dioxygenase 2 CHEMBL3627587 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 2 | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of mouse IDO2 transfected in HEK293T cells assessed as kynurenine for... | 27469130 |
| Indoleamine 2,3-dioxygenase 2 | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of IDO2 (unknown origin) | 35952367 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human IDO1 transfected in HEK293T cells assessed as kynurenine for... | 27469130 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of IDO1 (unknown origin) | 35952367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27469130 | 10.1016/j.bmcl.2016.07.031 | Indoleamine 2,3-dioxygenase 2 | 2 |
| 27469130 | 10.1016/j.bmcl.2016.07.031 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 27469130 | 10.1016/j.bmcl.2016.07.031 | Unchecked | 1 |
| 27469130 | 10.1016/j.bmcl.2016.07.031 | HEK-293T | 1 |
| 35952367 | 10.1021/acs.jmedchem.2c00263 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 35952367 | 10.1021/acs.jmedchem.2c00263 | Indoleamine 2,3-dioxygenase 2 | 1 |
Data from ChEMBL 36 via Core Engine