Compound Detail
CHEMBL332901
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Basic Information
| ChEMBL ID | CHEMBL332901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZXOZSQDJJNBRC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
144.6
MW (Da)
2.63
ALogP
1
HBA
1
HBD
0.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.72 | 5.33 | 1900.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of indoleamine-2,3-dioxygenase | 20688518 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of recombinant human IDO1 S167A mutant expressed in Escherichia coli ... | 28011425 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of recombinant human IDO1 expressed in bacterial expression system us... | 28011425 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse L... | 28011425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28011425 | 10.1016/j.ejmech.2016.12.029 | Indoleamine 2,3-dioxygenase 1 | 3 |
| 20688518 | 10.1016/j.bmcl.2010.07.025 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 3950915 | 10.1021/jm00153a009 | Thiopurine S-methyltransferase | 1 |
| 28011425 | 10.1016/j.ejmech.2016.12.029 | Unchecked | 1 |
| 28011425 | 10.1016/j.ejmech.2016.12.029 | LLTC cell line | 1 |
Data from ChEMBL 36 via Core Engine