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Compound Detail

CHEMBL1963025

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CC(C)Oc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963025
Phase Preclinical
Structure Type MOL
InChI Key WXTMXPOEYXVWKS-ICSRJNTNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
3.14
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO4S
MW 373.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine