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Compound Detail

CHEMBL3621755

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CCC(C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(O)[C@H](C)[C@@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3621755
Phase Preclinical
Structure Type MOL
InChI Key AHSSGPXZWGCGLY-NUPGPAJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.9
MW (Da)
2.87
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H27ClO7
MW 450.92
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.47

Literature References

PubMed DOI Target Context # Activities
26343828 10.1016/j.bmcl.2015.08.063 RAW264.7 3
26343828 10.1016/j.bmcl.2015.08.063 Unchecked 2
26343828 10.1016/j.bmcl.2015.08.063 HEK293 1

Data from ChEMBL 36 via Core Engine