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Compound Detail

CHEMBL377836

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CCOP(=O)(CCNC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377836
Phase Preclinical
Structure Type MOL
InChI Key TWRLILMHDLIRME-RIYZIHGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.72
ALogP
8
HBA
2
HBD
103.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32NO7P
MW 441.46
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.22

Literature References

PubMed DOI Target Context # Activities
16621550 10.1016/j.bmcl.2006.03.097 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine