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Compound Detail

CHEMBL3040182

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CN(C)c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040182
Phase Preclinical
Structure Type MOL
InChI Key YIJJLWCWVIXWBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
2.00
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.92
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 C18H23N3O2S
MW 345.47
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine