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Compound Detail

CHEMBL3594194

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COc1cc([C@@H]2Oc3c(OC)cc(C(=O)[C@H](O)CO)cc3[C@H]2CO)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594194
Phase Preclinical
Structure Type MOL
InChI Key MRPSCUONCYIKEY-MUKKUYKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
1.15
ALogP
8
HBA
4
HBD
125.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22O8
MW 390.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
26110443 10.1021/np500951s NON-PROTEIN TARGET 2
26110443 10.1021/np500951s Coxsackievirus B3 1

Data from ChEMBL 36 via Core Engine