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Compound Detail

CHEMBL179010

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O=C(N[C@H]1CN2CCC1CC2)c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179010
Phase Preclinical
Structure Type MOL
InChI Key WUAYIMJJGBSBLD-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.53
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.91
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 C15H17F3N2O
MW 298.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
15715459 10.1021/jm049363q Unchecked 1

Data from ChEMBL 36 via Core Engine