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Compound Detail

CHEMBL521375

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C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)NCC45CC6CC(CC(C6)C4)C5)CCC[C@@]23C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL521375
Phase Preclinical
Structure Type MOL
InChI Key PQFNGPLIFDHHQQ-PMFBIFCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.7
MW (Da)
7.45
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H47NO
MW 449.72
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 1.86

Literature References

PubMed DOI Target Context # Activities
16124770 10.1021/np050182g Oxysterols receptor LXR-alpha 2
16124770 10.1021/np050182g Oxysterols receptor LXR-beta 2

Data from ChEMBL 36 via Core Engine