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Compound Detail

CHEMBL1198233

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CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198233
Phase Preclinical
Structure Type MOL
InChI Key DTKVYEXIAYAWAE-PRMIEGHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

527.7
MW (Da)
6.80
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H33NO4S
MW 527.69
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine