Compound Detail
CHEMBL5082481
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Basic Information
| ChEMBL ID | CHEMBL5082481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKSRXNGZOJBLIW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.4
MW (Da)
3.18
ALogP
10
HBA
4
HBD
146.5
PSA (Ų)
0.15
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Indoleamine 2,3-dioxygenase 2 CHEMBL3627587 | IC50 | 6.16 | 6.16 | 689.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine formatio... | 34854662 |
| Indoleamine 2,3-dioxygenase 2 | IC50 | = | 689.0 | nM | 6.16 | Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formatio... | 34854662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34854662 | 10.1021/acs.jmedchem.1c01305 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 34854662 | 10.1021/acs.jmedchem.1c01305 | Indoleamine 2,3-dioxygenase 2 | 1 |
Data from ChEMBL 36 via Core Engine