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Compound Detail

CHEMBL1812537

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Fc1ccc2c(/C=C/c3cccc(Br)c3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812537
Phase Preclinical
Structure Type MOL
InChI Key GSQJLAXOITVPPH-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.2
MW (Da)
5.24
ALogP
0
HBA
1
HBD
15.8
PSA (Ų)
0.67
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrFN
MW 316.17
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.67

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