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Compound Detail

CHEMBL4066283

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CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CCCC(=O)[C@]6(C)[C@H]4CC[C@]23CO)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066283
Phase Preclinical
Structure Type MOL
InChI Key SJRGDYYYZXTIHI-ITNZKZAISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
1.95
ALogP
8
HBA
4
HBD
136.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40O8
MW 504.62
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 3.23

Literature References

PubMed DOI Target Context # Activities
28257574 10.1021/acs.jmedchem.7b00069 ACHN 1

Data from ChEMBL 36 via Core Engine