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Compound Detail

CHEMBL1963298

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COC(=O)N1CC[C@H](NCc2cc(OC(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963298
Phase Preclinical
Structure Type MOL
InChI Key LVURVEVFRJTVBU-OALUTQOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
4.31
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.73
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 C22H25F3N2O4
MW 438.45
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine