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Compound Detail

CHEMBL4469968

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

Basic Information

ChEMBL ID CHEMBL4469968
Phase Preclinical
Structure Type MOL
InChI Key RCCBQPYIPSPBFI-GWIVOYSISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

781.0
MW (Da)
2.32
ALogP
13
HBA
8
HBD
215.8
PSA (Ų)
0.14
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C42H68O13
MW 780.99
Aromatic Rings 0
Heavy Atoms 55
NP-Likeness 2.63

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