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Compound Detail

CHEMBL1196715

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CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196715
Phase Preclinical
Structure Type MOL
InChI Key FGQKZJQBKCJYLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

515.7
MW (Da)
6.07
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H33NO4S
MW 515.68
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine