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Compound Detail

CHEMBL4793321

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O=C(O)c1cc2c(Nc3ccc(F)c4[nH]ccc34)ccc(F)c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4793321
Phase Preclinical
Structure Type MOL
InChI Key XFTNTUKLYIADGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
4.37
ALogP
2
HBA
4
HBD
80.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11F2N3O2
MW 327.29
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.58

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