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Compound Detail

CHEMBL3682533

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CC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3682533
Phase Preclinical
Structure Type MOL
InChI Key OPNNGPMDAVGREY-RELWKKBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.9
MW (Da)
2.61
ALogP
6
HBA
2
HBD
108.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN3O5S
MW 451.93
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -2.00

Data from ChEMBL 36 via Core Engine