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Compound Detail

CHEMBL497267

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C[C@@H]1O[C@@H](O)[C@H]2C1=CC[C@H]1[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@H](O)[C@]21C

Basic Information

ChEMBL ID CHEMBL497267
Phase Preclinical
Structure Type MOL
InChI Key QHFVSFLUJAOZGP-GHHYXYIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)
5.31
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H42O3
MW 402.62
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 3.06

Literature References

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

Data from ChEMBL 36 via Core Engine