ZINC4474460 (Cc)

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Added Available Since Mwt logP Heavy Atoms Tranche Download
2005-12-03 In-Stock 2015-08-07 384.648 7.619 28 GKEA
ZINC4474460
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Available 3D Representations

pH range Net
charge		 H-bond
donors		 H-bond
acceptors		 tPSA Ų Rotatable
bonds		 Apolar
desolvationkcal/mol		 Polar
desolvationkcal/mol		 Download
Reference 0 1 1 20 6 13.53 -2.22
51 Items Total

Vendors (32 Total)

Molport
Selleck Chemicals
Bioactive Tocris
Bioactive Toronto Research Chemicals
Building Blocks Alfa-Aesar
Building Blocks Molport BB
Building Blocks Sigma Aldrich (Building Blocks)
APExBIO
  • B1057
Bosche Scientific
  • V0013
Bioactive Cayman Chemical
Chemaphor
Chem-Impex International
  • 1551
Bioactive IBScreen Bioactives
Building Blocks AbovChem
  • HY-15398
Building Blocks Acros Organics
Building Blocks AK Scientific
Building Blocks Ark Pharm Building Blocks
Building Blocks BioSynth
Building Blocks BOC Sciences BB
Building Blocks EndoTherm
Building Blocks FineTech
Building Blocks Lab Seeker Building Blocks
  • SC-18322
Building Blocks StruChem BB
  • SC-18322
Building Blocks Tetrahedron Building Blocks
Building Blocks W&J PharmaChem
  • 50A976277
1717 CheMall Corporation
  • BT000655
  • DR002200
  • LP073446
  • OR113615
  • OR115695
Ambinter
eMolecules
Building Blocks Angene Building Blocks
Building Blocks Ark Pharm BB Make-on-demand
Building Blocks eMolecules Building Blocks
Building Blocks Lab Network Building Blocks
  • LN01326437
  • LN01347182
  • LN02190102
50 Items Total

Annotated Catalogs (38 Total)

In Man MicroSource Pharmakon
  • 01500838
Bioactive MicroSource Spectrum
  • 01500838
In Man MicroSource US Drugs
  • 01500838
Bioactive SMDC Iconix
Bioactive SMDC Pharmakon
BindingDB.org
Bioactive Bovine Metabolome
Bioactive ChEBI
ChEMBL20
ChEMBL 21
ChEMBL23
In Man ChEMBL DrugStore
Bioactive DrugBank All
World Drugs DrugBank-approved
FDA Approved Drugs DrugBank FDA only
World Drugs DrugBank-nutriceuticals
FDA-approved drugs (via DSSTOX)
In Man Food Database
Natural Products Bioactive Herbal Ingredients Targets
In Man HMDB Drug
Endogenous Human Metabolites Metabolites Bioactive HMDB Endogenous
In Man HMDB Food
In Man Human Metabolome Database
Bioactive IUPHAR Database
Bioactive KEGG-C via PubChem
In Man KEGG-D via PubChem
Bioactive KEGG via PubChem
Lipidomics
Bioactive PDSP via PubChem
  • Prestwick_63
Bioactive Protein Databank
  • VD3
Prous via PubChem
  • 390460
In Man Serum Metabolome
Bioactive SMDC MicroSource
SMDC Public
In Man SMPDB Small Molecule Pathway Database
Sweetlead
  • SW02839
UNPD
  • UNPD41501
In Man Urine Metabolome
3 Total Observations

Activities based on ChEMBL 20

Gene Name Class / Organism pKi (L.E.) Observations
CDC25A: M-phase inducer phosphatase 1 enzyme / phosphatase (E) 6.05 (0.30) 1
GLRA1: Glycine receptor subunit alpha-1 ion channel / LGIC (E) 6.40 (0.32) 1
VDR: Vitamin D3 receptor Transcription factor / NR (E) 9.68 (0.48) 1
Run SEA View All 8

SEA Predictions based on ChEMBL 20

Gene Description Target Class P-Value Max Tc
GC Vitamin D-binding protein Secreted / secreted 0 64
VDRA Vitamin D3 receptor A Transcription factor / NR 0 64
RORC Nuclear receptor ROR-gamma Transcription factor / NR 0 40
RORA Nuclear receptor ROR-alpha Transcription factor / NR 26 40
CYP27B1 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial enzyme / enzyme-other 28 52
Find All

Interesting Analogs

Scaffold of this compound

ZINC4474460

ZINC4474460

4521924 ZINC4521924

Sources of Ambiguity Find More

Substance Rings

1,2-dimethylenecyclohexane
7-methylene-1,2,3,3a,4,5,6,7a-octahydroindene

Molecular Patterns (Warnings, etc.)

alkene-terminal-sp2
Functional group
alkene-terminal-sp3
Functional group
alcohol-secondary
reagent
alkene-internal-sp2
reagent

References

Doc Year Journal Volume Issue Pages Link
91666 2015 J. Med. Chem. 58 7 2958–2966 25790278
89585 2014 Bioorg. Med. Chem. Lett. 24 22 5265–5267 25305688
6435 2004 Bioorg. Med. Chem. Lett. 14 12 3291–3294 15149692

View All 420 Clinical Trials

Trial ID Title Status Phase Start Date Condition(s) Drug(s)
NCT01637155 Study to Evaluate the Pharmacokinetics of Vitamin D (Cholecalciferol) in Patients Undergoing Obesity Surgery in a Deficit Situation and After Standardization Not yet recruiting Phase 2 Unknown
Gastric Bypass
Obesity
Gastrectomy
Cholecalciferol
NCT02276755 Vitamin D Suplementation in TB Prevention Not yet recruiting Phase 3 Sep 2015
Latent Tuberculosis
cholecalciferol (vitamin D)
Placebo
NCT01728987 The Significance of Vitamin D Storage in Adipose Tissue Not yet recruiting Phase 2 Aug 2015
Obesity
cholecalciferol
NCT01955577 Vitamin D Supplement for Patients With Tibial Fracture Not yet recruiting Phase 1 Apr 2015
Tibial Fracture
Placebo orally everyday
Vitamin D3 cholecalciferol
NCT02305927 Trial of Vitamin D in HIV Progression, Birth Outcomes, and Child Health Not yet recruiting Phase 3 Apr 2015
HIV
Vitamin D3 (cholecalciferol)
Placebo

Additional Identifiers (Synonyms/CAS Numbers/etc.)

CAS Numbers
ATC Code(s)
WHO Name(s)
Molecule Names
  • CHOLECALCIFEROL
Synonyms

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