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Compound Detail

CHEMBL1812550

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

Basic Information

ChEMBL ID CHEMBL1812550
Phase Preclinical
Structure Type MOL
InChI Key FEBZIDUDFVQQJL-WEVVVXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
2.78
ALogP
3
HBA
1
HBD
65.9
PSA (Ų)
0.52
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 C14H11FN2O2
MW 258.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.18

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