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Compound Detail

CHEMBL2236855

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CN(C)c1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2236855
Phase Preclinical
Structure Type MOL
InChI Key ZYQVDKXXKPRCIN-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.93
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15F2NO
MW 287.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9549-9 SGC-7901 1
- 10.1007/s00044-011-9549-9 HT-29 1

Data from ChEMBL 36 via Core Engine