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Compound Detail

CHEMBL1962397

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COc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962397
Phase Preclinical
Structure Type MOL
InChI Key OAQFMIPANPFIIZ-WMZOPIPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.37
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO4S
MW 345.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine