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Compound Detail

CHEMBL4116117

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O=C(O)[C@H]1NCC[C@@H]1c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116117
Phase Preclinical
Structure Type MOL
InChI Key QHAURQAMKRYSBP-ZJUUUORDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.2
MW (Da)
2.24
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12F3NO2
MW 259.23
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine