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Compound Detail

CHEMBL4519950

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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4519950
Phase Preclinical
Structure Type MOL
InChI Key YVGKRXPSSLCPSA-UIJKDBGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

634.9
MW (Da)
4.03
ALogP
8
HBA
6
HBD
156.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H58O9
MW 634.85
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 3.03

Literature References

PubMed DOI Target Context # Activities
30808589 10.1016/j.bmcl.2019.02.022 RAW264.7 2

Data from ChEMBL 36 via Core Engine