Compound Detail
CHEMBL3746040
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Basic Information
| ChEMBL ID | CHEMBL3746040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHUVIOUEAOATEB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
0.99
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.62 | 6.62 | 240.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escheric... | 25970480 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human IDO1 expressed in Escherichia coli using L-tryptophan as sub... | 33341650 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human IDO1 using L-tryptophan as substrate assessed as reduction i... | 37866714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25970480 | 10.1021/acs.jmedchem.5b00326 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 33341650 | 10.1016/j.ejmech.2020.113071 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 37866714 | 10.1016/j.bmcl.2023.129532 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine