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Compound Detail

CHEMBL97475

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CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(OC(F)(F)F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97475
Phase Preclinical
Structure Type MOL
InChI Key BQQQBDUGDHGYPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.88
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27F3N2O3
MW 400.44
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine