Compound Detail
CHEMBL4750649
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Basic Information
| ChEMBL ID | CHEMBL4750649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRZOCQZFUMBQDO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
1.92
ALogP
6
HBA
1
HBD
93.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 78.0 | nM | 7.11 | Inhibition of IDO1 (unknown origin) assessed as reduction in L-kynurenine format... | 32871341 |
| Tryptophan 2,3-dioxygenase | IC50 | = | 104.0 | nM | 6.98 | Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formati... | 32871341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32871341 | 10.1016/j.ejmech.2020.112703 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 32871341 | 10.1016/j.ejmech.2020.112703 | Tryptophan 2,3-dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine