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Compound Detail

CHEMBL5184643

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CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184643
Phase Preclinical
Structure Type MOL
InChI Key WSWKMGSCQQQPBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
6.30
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClF3N2O
MW 410.87
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
34752953 10.1016/j.ejmech.2021.113967 Indoleamine 2,3-dioxygenase 1 1

Data from ChEMBL 36 via Core Engine