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Compound Detail

CHEMBL1708021

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C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N(CC)C3CCS(=O)(=O)C3)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1708021
Phase Preclinical
Structure Type MOL
InChI Key AOBHWOPMIYKNDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
0.66
ALogP
7
HBA
0
HBD
118.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O7S
MW 434.47
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -1.81

Data from ChEMBL 36 via Core Engine