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Compound Detail

CHEMBL4459729

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CN(C(=O)CNC(=O)Cc1ccc2c(c1)OCO2)C1CCS(=O)(=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459729
Phase Preclinical
Structure Type MOL
InChI Key AKQVFRFFSQKMMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
0.11
ALogP
6
HBA
1
HBD
102.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O6S
MW 382.44
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine