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Compound Detail

CHEMBL4640932

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CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4640932
Phase Preclinical
Structure Type MOL
InChI Key CXGXDTSWFKGIHD-CLCIBRLLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

632.8
MW (Da)
3.67
ALogP
9
HBA
5
HBD
153.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H56O9
MW 632.84
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 2.95

Literature References

PubMed DOI Target Context # Activities
32299661 10.1016/j.bmc.2020.115465 RAW264.7 2
31924497 10.1016/j.bmcl.2019.126947 PC-12 1

Data from ChEMBL 36 via Core Engine