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Compound Detail

CHEMBL3350292

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C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@@H]4C[C@](C)(O)C(=O)N4C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350292
Phase Preclinical
Structure Type MOL
InChI Key YCKBNQNSQUFGRQ-ZBIBTHCISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.7
MW (Da)
4.14
ALogP
4
HBA
3
HBD
81.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H43NO4
MW 457.66
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.27

Literature References

PubMed DOI Target Context # Activities
15109656 10.1016/s0960-894x(04)00294-x Vitamin D3 receptor 2

Data from ChEMBL 36 via Core Engine