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Compound Detail

CHEMBL432600

LEXACALCITOL
🧪 Phase II
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🧪 Phase II
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)OCCCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432600
Name LEXACALCITOL
Phase Phase II
Structure Type MOL
InChI Key KLZOTDOJMRMLDX-YBBVPDDNSA-N

Known Names

KH-106 KH-1060 KH106 KH1060 Lexacalcitol
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
5
Known Names

Molecular Properties

460.7
MW (Da)
5.86
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -calci-

Extended Properties

Molecular Formula C29H48O4
MW 460.70
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.03

Literature References

PubMed DOI Target Context # Activities
16480267 10.1021/jm050795q Vitamin D3 receptor 3
9554880 10.1021/jm970761l U-937 2
11000014 10.1021/jm000215j MCF7 1
- 10.1016/S0960-894X(01)80906-9 Unchecked 1

Data from ChEMBL 36 via Core Engine