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Compound Detail

CHEMBL440597

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C[C@H]1[C@H](C)CC[C@]2(C(=O)OCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440597
Phase Preclinical
Structure Type MOL
InChI Key UYEPOLQETQVIFL-XNEUAMHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

530.8
MW (Da)
5.60
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.32
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H50O6
MW 530.75
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 2.88

Literature References

PubMed DOI Target Context # Activities
17869102 10.1016/j.bmcl.2007.08.057 Unchecked 1

Data from ChEMBL 36 via Core Engine