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Compound Detail

CHEMBL4748072

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COc1ccc2c(c1)C(=O)c1c(nnn1-c1ccc(F)c(Cl)c1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4748072
Phase Preclinical
Structure Type MOL
InChI Key YQQSTVXRYLHKQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.7
MW (Da)
2.84
ALogP
6
HBA
0
HBD
74.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H9ClFN3O3
MW 357.73
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
32871341 10.1016/j.ejmech.2020.112703 Indoleamine 2,3-dioxygenase 1 1
32871341 10.1016/j.ejmech.2020.112703 Tryptophan 2,3-dioxygenase 1

Data from ChEMBL 36 via Core Engine