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Compound Detail

CHEMBL2219825

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CN(CCO)CCCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219825
Phase Preclinical
Structure Type MOL
InChI Key YPKPOCIBCOOAFB-KESTWPANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
4.37
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H35F3N2O3S
MW 464.59
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine