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Compound Detail

CHEMBL4302573

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O=C(O)CN1CCC2(CC1)COc1cc(S(=O)(=O)Cc3c(Cl)cccc3Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302573
Phase Preclinical
Structure Type MOL
InChI Key ZHWCKEMQXTXRCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
3.78
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21Cl2NO5S
MW 470.37
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine