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Compound Detail

CHEMBL5440982

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O=C1C[C@](CO)(c2ccccc2)Oc2cc3c(c(O)c21)OOC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440982
Phase Preclinical
Structure Type MOL
InChI Key KLEDKIRCKQHAAU-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.07
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O6
MW 314.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.66

Literature References

PubMed DOI Target Context # Activities
37778427 10.1016/j.bmcl.2023.129491 Unchecked 1
37778427 10.1016/j.bmcl.2023.129491 RAW264.7 1

Data from ChEMBL 36 via Core Engine