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Compound Detail

CHEMBL211273

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COc1c(C)c2c(c(O)c1C/C=C(\C)CN(C)CCP(=O)(O)O)C(=O)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211273
Phase Preclinical
Structure Type MOL
InChI Key XAEYBURIKPZWDA-VZUCSPMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
1.98
ALogP
6
HBA
3
HBD
116.5
PSA (Ų)
0.35
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 C18H26NO7P
MW 399.38
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.14

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