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Compound Detail

CHEMBL1812551

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N#C/C(=C\c1c[nH]c2cc(F)ccc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812551
Phase Preclinical
Structure Type MOL
InChI Key JONAYMMCHYGONJ-XVNBXDOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
2.30
ALogP
2
HBA
2
HBD
76.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7FN2O2
MW 230.20
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.86

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