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Compound Detail

CHEMBL3358353

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CCOC(=O)Cc1csc(NC(=O)C2C(C(=O)O)[C@H]3CC[C@@H]2O3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358353
Phase Preclinical
Structure Type MOL
InChI Key RYHXHIQXXAWWFP-CAQTZKSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
1.07
ALogP
7
HBA
2
HBD
114.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O6S
MW 354.38
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
25466711 10.1016/j.bmcl.2014.11.032 A549 1
25466711 10.1016/j.bmcl.2014.11.032 HepG2 1
25466711 10.1016/j.bmcl.2014.11.032 HeLa 1
25466711 10.1016/j.bmcl.2014.11.032 NON-PROTEIN TARGET 1
25466711 10.1016/j.bmcl.2014.11.032 ADMET 1
25466711 10.1016/j.bmcl.2014.11.032 No relevant target 1

Data from ChEMBL 36 via Core Engine