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Compound Detail

CHEMBL172816

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Fc1ccc(C2CC(N3CCN(C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172816
Phase Preclinical
Structure Type MOL
InChI Key WFWXLDOWSRFXSJ-QPJJXVBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
5.87
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28F2N2
MW 430.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine