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Compound Detail

CHEMBL1812552

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O=C(O)C(=Cc1c[nH]c2cc(F)ccc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812552
Phase Preclinical
Structure Type MOL
InChI Key YABYWBVLDCDXDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

249.2
MW (Da)
1.86
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8FNO4
MW 249.20
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
21726069 10.1021/jm2006782 Tryptophan 2,3-dioxygenase 1
21726069 10.1021/jm2006782 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine