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Compound Detail

CHEMBL4300281

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NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OCC(O)CNCc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300281
Phase Preclinical
Structure Type MOL
InChI Key NFACCWVSWKQRQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
1.84
ALogP
6
HBA
4
HBD
130.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O5S
MW 483.59
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine