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Compound Detail

CHEMBL3040183

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CC(=O)Nc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040183
Phase Preclinical
Structure Type MOL
InChI Key WXKLBWKCDZORIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
1.89
ALogP
5
HBA
2
HBD
78.5
PSA (Ų)
0.87
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 C18H21N3O3S
MW 359.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.61

Data from ChEMBL 36 via Core Engine