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Compound Detail

CHEMBL487564

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COc1c(C/C=C(\C)CCC(=O)O)cc(-c2cnco2)c(OC)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487564
Phase Preclinical
Structure Type MOL
InChI Key UVEAFVBGYJCHRB-LFYBBSHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.02
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO5
MW 345.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
18809333 10.1016/j.bmc.2008.08.062 Inosine-5'-monophosphate dehydrogenase 1 1
18809333 10.1016/j.bmc.2008.08.062 Inosine-5'-monophosphate dehydrogenase 2 1
18809333 10.1016/j.bmc.2008.08.062 K562 1

Data from ChEMBL 36 via Core Engine