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Compound Detail

CHEMBL1182827

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C[C@H](N)Cc1c2c(c(C(F)(F)F)c3c1OCC3)OCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182827
Phase Preclinical
Structure Type MOL
InChI Key KMWGSFWAZUVTCM-ZETCQYMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
2.46
ALogP
3
HBA
1
HBD
44.5
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 C14H16F3NO2
MW 287.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine