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Compound Detail

CHEMBL4213164

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C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4213164
Phase Preclinical
Structure Type MOL
InChI Key QKXFADNZXOBAQQ-DIEBFMLZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
1.81
ALogP
9
HBA
2
HBD
144.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H38O9
MW 506.59
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.13

Literature References

PubMed DOI Target Context # Activities
30207465 10.1021/acs.jnatprod.7b01050 Beta-secretase 1 1

Data from ChEMBL 36 via Core Engine