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Compound Detail

CHEMBL1493465

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CN(C)S(=O)(=O)N1CCN(CC(O)COc2ccc3cc(Br)ccc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1493465
Phase Preclinical
Structure Type MOL
InChI Key KCHWYKWDELVQRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.4
MW (Da)
1.77
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26BrN3O4S
MW 472.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine