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Compound Detail

CHEMBL4644678

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CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644678
Phase Preclinical
Structure Type MOL
InChI Key ZRVXZSXPLYRLKD-IYXXCHSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

650.9
MW (Da)
3.00
ALogP
9
HBA
7
HBD
177.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H58O10
MW 650.85
Aromatic Rings 0
Heavy Atoms 46
NP-Likeness 3.15

Literature References

PubMed DOI Target Context # Activities
31924497 10.1016/j.bmcl.2019.126947 PC-12 1

Data from ChEMBL 36 via Core Engine