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Compound Detail

CHEMBL3991341

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CN(C)CCOc1ccc(/C(=C(/CCC(F)F)c2ccccc2)c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991341
Phase Preclinical
Structure Type MOL
InChI Key PQYBCROGKPYKEJ-RFBIWTDZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
6.34
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29F2NO2
MW 437.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine