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Compound Detail

CHEMBL35939

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CN[C@@H]1CC[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL35939
Phase Preclinical
Structure Type MOL
InChI Key BSEAIIVNBLDSER-YVEFUNNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.8
MW (Da)
5.55
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.76
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClF3N
MW 339.79
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine