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Compound Detail

CHEMBL3350950

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CCOC(=O)/C=C/C1([C@H](O)/C=C/[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O)C[C@H](O)C4)CCC[C@]23C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350950
Phase Preclinical
Structure Type MOL
InChI Key UDWJBXZEWVHHNO-ABURYDHOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.7
MW (Da)
5.41
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H46O5
MW 498.70
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 1.81

Literature References

PubMed DOI Target Context # Activities
16480267 10.1021/jm050795q Vitamin D3 receptor 3

Data from ChEMBL 36 via Core Engine