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Compound Detail

CHEMBL1962399

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Cc1ccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962399
Phase Preclinical
Structure Type MOL
InChI Key XMWLBQRRZONGKP-WMZOPIPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
2.67
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO3S
MW 329.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine