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Compound Detail

CHEMBL1780029

PHELLIGRIDIMER A
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O=c1oc2cc(O)c1-c1cc(O)c(O)cc1/C=C/c1cc3c(c(=O)o1)[C@H](c1cc(O)c(c(=O)o1)-c1cc(O)c(O)cc1/C=C/c1cc4c(c(=O)o1)[C@H]2[C@@H](c1ccc(O)c(O)c1)O4)[C@@H](c1ccc(O)c(O)c1)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1780029
Name PHELLIGRIDIMER A
Phase Preclinical
Structure Type MOL
InChI Key CJFXDDUPHVDEGG-WBQDRZHYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

976.8
MW (Da)
7.07
ALogP
20
HBA
10
HBD
341.6
PSA (Ų)
0.08
QED
4
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C52H32O20
MW 976.81
Aromatic Rings 8
Heavy Atoms 72
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
21531558 10.1016/j.bmcl.2011.04.025 Unchecked 1

Data from ChEMBL 36 via Core Engine