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Compound Detail

CHEMBL165268

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CCC[C@H]1C(=O)N(CCN(C)C)c2ccc(C(F)(F)F)cc2C[C@H]1c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165268
Phase Preclinical
Structure Type MOL
InChI Key VBCISBNDKAJMHX-YADHBBJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
5.36
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31F3N2O2
MW 448.53
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine