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Compound Detail

CHEMBL3546546

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NS(=O)(=O)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546546
Phase Preclinical
Structure Type MOL
InChI Key RLJFTCSYQKNBPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
2.15
ALogP
7
HBA
3
HBD
119.2
PSA (Ų)
0.60
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 C19H21N5O3S
MW 399.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine