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Compound Detail

CHEMBL4561430

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COc1ccc(CC(=O)NCC(=O)N(C)C2CCS(=O)(=O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4561430
Phase Preclinical
Structure Type MOL
InChI Key NJFBAFVTJKXINJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
0.39
ALogP
5
HBA
1
HBD
92.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N2O5S
MW 368.46
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.62

Data from ChEMBL 36 via Core Engine