Compound Detail
CHEMBL4762148
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C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1(C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL4762148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAQCLZLQHLGDMN-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
4.33
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reductio... | 33738066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33738066 | 10.1021/acsmedchemlett.0c00525 | No relevant target | 3 |
| 33738066 | 10.1021/acsmedchemlett.0c00525 | ADMET | 2 |
| 33738066 | 10.1021/acsmedchemlett.0c00525 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 33738066 | 10.1021/acsmedchemlett.0c00525 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine