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Compound Detail

CHEMBL506816

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C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL506816
Phase Preclinical
Structure Type MOL
InChI Key IBAJNOZMACNWJD-JJDLJMFBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

735.0
MW (Da)
4.55
ALogP
10
HBA
6
HBD
175.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C41H66O11
MW 734.97
Aromatic Rings 0
Heavy Atoms 52
NP-Likeness 3.01

Literature References

PubMed DOI Target Context # Activities
10757708 10.1021/np990231n WEHI-164 1
10757708 10.1021/np990231n J774 1
10757708 10.1021/np990231n HEK293 1

Data from ChEMBL 36 via Core Engine