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Compound Detail

CHEMBL519577

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CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519577
Phase Preclinical
Structure Type MOL
InChI Key IDZDIJBVDDHIIM-XJYMFQQYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
5.49
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H42O4
MW 430.63
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 3.33

Literature References

PubMed DOI Target Context # Activities
10785432 10.1021/np990506z Gambusia affinis 1
10785432 10.1021/np990506z Unchecked 1
15620263 10.1021/np040087s Gambusia affinis 1

Data from ChEMBL 36 via Core Engine