Compound Detail
CHEMBL1224390
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Basic Information
| ChEMBL ID | CHEMBL1224390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLLOBRZODSODRU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1229101 |
| Active Moiety | CHEMBL1229101 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
194.3
MW (Da)
2.38
ALogP
2
HBA
2
HBD
49.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.6 | 5.2 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibi... | 20688518 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of indoleamine-2,3-dioxygenase | 20688518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20688518 | 10.1016/j.bmcl.2010.07.025 | Indoleamine 2,3-dioxygenase 1 | 2 |
Data from ChEMBL 36 via Core Engine