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Compound Detail

CHEMBL1570834

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COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1570834
Phase Preclinical
Structure Type MOL
InChI Key UCGWYUCXCIKLGA-KAZNXQFFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
2.86
ALogP
5
HBA
0
HBD
76.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O5S
MW 442.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine