Compound Detail
CHEMBL5219208
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Basic Information
| ChEMBL ID | CHEMBL5219208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLDZTFYFNIEBBP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.3
MW (Da)
2.80
ALogP
3
HBA
3
HBD
82.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
| CT26 CHEMBL613866 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of IDO1 (unknown origin) | 35696861 |
| Unchecked | IC50 | = | 23700.0 | nM | 4.62 | Antiproliferative activity against mouse Lewis lung carcinoma cell line | 35696861 |
| CT26 | IC50 | = | 23700.0 | nM | 4.62 | Antiproliferative activity against mouse CT26 cells | 35696861 |
| HCT-116 | IC50 | = | 23700.0 | nM | 4.62 | Antiproliferative activity against human HCT-116 cells | 35696861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35696861 | 10.1016/j.ejmech.2022.114524 | Unchecked | 2 |
| 35696861 | 10.1016/j.ejmech.2022.114524 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 35696861 | 10.1016/j.ejmech.2022.114524 | CT26 | 1 |
| 35696861 | 10.1016/j.ejmech.2022.114524 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine