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Compound Detail

CHEMBL1706477

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CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1706477
Phase Preclinical
Structure Type MOL
InChI Key PXCSFYDKFROWTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
2.99
ALogP
5
HBA
3
HBD
107.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4O4S
MW 494.62
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.72

Data from ChEMBL 36 via Core Engine