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Compound Detail

CHEMBL4086892

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C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086892
Phase Preclinical
Structure Type MOL
InChI Key BQZJZWAOAYXNEA-YDPWOZMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

648.8
MW (Da)
2.50
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.20
QED
2
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 C36H56O10
MW 648.83
Aromatic Rings 0
Heavy Atoms 46
NP-Likeness 3.03

Literature References

PubMed DOI Target Context # Activities
28427811 10.1016/j.bmcl.2017.03.076 RAW264.7 1

Data from ChEMBL 36 via Core Engine