Compound Detail
CHEMBL500863
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Basic Information
| ChEMBL ID | CHEMBL500863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMRIWYCCTCNABA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
147.1
MW (Da)
0.95
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Ki | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | Ki | = | 190.0 | nM | 6.72 | Inhibition of human recombinant indoleamine 2,3-dioxygenase | 18393489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18393489 | 10.1021/jm800143h | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine