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Compound Detail

CHEMBL5400953

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CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)c2cc(OC)ccc2OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400953
Phase Preclinical
Structure Type MOL
InChI Key QJKSIXNPHIYEKJ-RGMHLJPOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
1.94
ALogP
10
HBA
2
HBD
147.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O10S
MW 536.56
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
38389870 10.1039/d3md00649b ATP-dependent translocase ABCB1 2
38389870 10.1039/d3md00649b Caco-2 1

Data from ChEMBL 36 via Core Engine