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Compound Detail

CHEMBL1179104

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Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179104
Phase Preclinical
Structure Type MOL
InChI Key SNICMGDUOVKOPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.43
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18F2N2O
MW 328.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
17417631 10.1038/nchembio873 Unchecked 1

Data from ChEMBL 36 via Core Engine