Compound Detail
CHEMBL576950
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Basic Information
| ChEMBL ID | CHEMBL576950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGVCNAWJHLSYPN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.96
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.05 | 6.05 | 900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynure... | 23218716 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human IDO1 using L-tryptophan as substrate assessed as reduction i... | 37866714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23218716 | 10.1016/j.bmcl.2012.11.036 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 19897281 | 10.1016/j.ejmech.2009.10.019 | NON-PROTEIN TARGET | 1 |
| 19897281 | 10.1016/j.ejmech.2009.10.019 | A549 | 1 |
| 19897281 | 10.1016/j.ejmech.2009.10.019 | PC-3 | 1 |
| 23218716 | 10.1016/j.bmcl.2012.11.036 | Tryptophan 2,3-dioxygenase | 1 |
| 23218716 | 10.1016/j.bmcl.2012.11.036 | ADMET | 1 |
| 37866714 | 10.1016/j.bmcl.2023.129532 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine