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Compound Detail

CHEMBL4780214

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COc1c(OCCO)cc2oc3cc(OCCO)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4780214
Phase Preclinical
Structure Type MOL
InChI Key LNPGANSNLMUNDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
4.42
ALogP
8
HBA
3
HBD
118.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34O8
MW 498.57
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 1.50

Literature References

PubMed DOI Target Context # Activities
33513389 10.1016/j.bmcl.2021.127820 Phosphoglycerate mutase 1 1

Data from ChEMBL 36 via Core Engine