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Compound Detail

CHEMBL4279325

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CCOC(=O)/C=C/c1cc(NS(=O)(=O)c2cccs2)c2c(c1OC)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4279325
Phase Preclinical
Structure Type MOL
InChI Key BPELMNPQKWWCQL-VOTSOKGWSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
2.86
ALogP
8
HBA
1
HBD
100.2
PSA (Ų)
0.55
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 C17H17NO7S2
MW 411.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.86

Activity Summary

Kd 3 meas.

Data from ChEMBL 36 via Core Engine