Compound Detail
CHEMBL3752209
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Basic Information
| ChEMBL ID | CHEMBL3752209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMCCSFCZNUXGJD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.13
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenin... | 26642377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26642377 | 10.1021/acs.jmedchem.5b01390 | Indoleamine 2,3-dioxygenase 1 | 3 |
Data from ChEMBL 36 via Core Engine