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Compound Detail

CHEMBL3139316

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Oc1ccc2c(c1)O[C@@H](CN1CCN(c3ccc(OCCF)cc3)CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139316
Phase Preclinical
Structure Type MOL
InChI Key WYXKJCLEMKQLEU-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.26
ALogP
5
HBA
1
HBD
45.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27FN2O3
MW 386.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine