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Compound Detail

CHEMBL29122

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O=C1C2C3C=CC(C4CC34)C2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29122
Phase Preclinical
Structure Type MOL
InChI Key WFTIMJFBFXGYJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
3.66
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30F3N3O2
MW 473.54
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine