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Compound Detail

CHEMBL3139475

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Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1OCCCCF)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139475
Phase Preclinical
Structure Type MOL
InChI Key NIMQPLYMAJLLNI-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
4.00
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26FNO3
MW 359.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine