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Compound Detail

CHEMBL1179108

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FC(F)(F)c1ccc(C(OCCCc2c[nH]cn2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179108
Phase Preclinical
Structure Type MOL
InChI Key VZWGQWGTUFCGEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
5.17
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F3N2O
MW 360.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine