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Compound Detail

CHEMBL1963411

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CCN1CC[C@H](NCc2cc(OC(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963411
Phase Preclinical
Structure Type MOL
InChI Key DVGKWMUXDYVBPX-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.56
ALogP
4
HBA
1
HBD
33.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27F3N2O2
MW 408.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine