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Compound Detail

CHEMBL560335

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C=CCc1cc(/C=C2\SC(=O)NC2=O)c(O)c(-c2cc(/C=C3\SC(=O)NC3=O)c(O)c(CC=C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL560335
Phase Preclinical
Structure Type MOL
InChI Key HPQYKHGQZDWCFO-YZLQMOBTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
4.87
ALogP
8
HBA
4
HBD
132.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N2O6S2
MW 520.59
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
19589678 10.1016/j.bmcl.2009.06.071 A2780 2
19589678 10.1016/j.bmcl.2009.06.071 K562 1
19589678 10.1016/j.bmcl.2009.06.071 NON-PROTEIN TARGET 1
19589678 10.1016/j.bmcl.2009.06.071 A549 1
31278004 10.1016/j.bmc.2019.06.042 No relevant target 1

Data from ChEMBL 36 via Core Engine