Compound Detail
CHEMBL1098826
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Basic Information
| ChEMBL ID | CHEMBL1098826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTMWBKWHXVFTCH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
249.2
MW (Da)
1.33
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 550.0 | nM | 6.26 | Indoleamine-2,3-Dioxygenase 1 Inhibitory Activity: Experimental method: IDO-1 ca... | - |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 550.0 | nM | 6.26 | Indoleamine-2,3-Dioxygenase 1 Inhibitory Activity: Experimental method: IDO-1 ca... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20373766 | 10.1021/jm901847f | Escherichia coli | 5 |
| 23360475 | 10.1021/np3007167 | Mycobacterium tuberculosis | 3 |
| 20373766 | 10.1021/jm901847f | DNA topoisomerase 1 | 1 |
| 23360475 | 10.1021/np3007167 | Vero | 1 |
Data from ChEMBL 36 via Core Engine