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Compound Detail

CHEMBL4752773

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COc1ccc(C(=O)O)c(Nc2ccc(F)c3[nH]c(C(=O)O)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752773
Phase Preclinical
Structure Type MOL
InChI Key YEKQXTWGFZXOKP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.3
MW (Da)
3.46
ALogP
4
HBA
4
HBD
111.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13FN2O5
MW 344.30
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
31881488 10.1016/j.ejmech.2019.111985 Indoleamine 2,3-dioxygenase 1 1
31881488 10.1016/j.ejmech.2019.111985 Tryptophan 2,3-dioxygenase 1

Data from ChEMBL 36 via Core Engine