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Compound Detail

CHEMBL2323205

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COC1=C(OC)C(=O)C(CCCOCc2cccc(S(=O)(=O)O)c2)=C(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2323205
Phase Preclinical
Structure Type MOL
InChI Key ABHODEXMKAMSSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
2.20
ALogP
7
HBA
1
HBD
116.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O8S
MW 410.44
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
23432053 10.1021/jm301585z HL-60 2
23432053 10.1021/jm301585z Unchecked 2

Data from ChEMBL 36 via Core Engine