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Compound Detail

CHEMBL1509254

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O=C(/C=C/c1ccc(Br)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1509254
Phase Preclinical
Structure Type MOL
InChI Key HTDXRQRXFZCXBL-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.3
MW (Da)
4.83
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18BrF3N2O
MW 439.28
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.27

Data from ChEMBL 36 via Core Engine