ZINC4428529 (Gesterol)

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Added Available Since Mwt logP Heavy Atoms Tranche Download
2005-11-28 In-Stock 2015-08-07 314.469 4.724 23 DJEA
ZINC4428529
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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 0 2 34 1 10.61 -9.96
55 Items Total

Vendors (39 Total)

MedChem Express
Molport
Selleck Chemicals
Specs
Bioactive Tocris
Bioactive Toronto Research Chemicals
Building Blocks Molport BB
Building Blocks Ryan Scientific BB
  • 074-62707
  • Ganciclovir
Building Blocks Sigma Aldrich (Building Blocks)
Building Blocks Vitas-M BB
APExBIO
  • A8509
Bosche Scientific
  • P0236
Bioactive Cayman Chemical
Hangzhou Yuhao Chemical Technology
  • LX2906
IBScreen NP
NCI Plated 2007
TargetMol
TimTec
Building Blocks AbovChem
  • HY-N0437
Building Blocks Acros Organics
Building Blocks AK Scientific
Building Blocks Alinda BB
Building Blocks AstaTech
Building Blocks BioSynth
Building Blocks BOC Sciences BB
Building Blocks Boerchem Pharmatech BB
Building Blocks FineTech
Building Blocks IBScreen BuildingBlocks
Building Blocks Lab Seeker Building Blocks
  • SC-22719
Building Blocks Pharmeks BB
Building Blocks StruChem BB
  • SC-22719
Building Blocks Tetrahedron Building Blocks
Building Blocks TimTec Building Blocks
Building Blocks W&J PharmaChem
  • 100591
  • 50A260412
1717 CheMall Corporation
  • BT000482
  • PL000236
Building Blocks Angene Building Blocks
Building Blocks ChemDiv BB Make-on-demand
Building Blocks Lab Network Building Blocks
  • LN00235957
Building Blocks StruChem BB make-on-demand
  • SC-22719
56 Items Total

Annotated Catalogs (44 Total)

Bioactive Illuminating the Druggable Genome Screening Library
  • NCC-1-1-H-3
  • Prestwick-6-H-8
  • Selleck-6-A-7
  • Spectrum-4-H-9
In Man MicroSource Pharmakon
  • 01500508
Bioactive MicroSource Spectrum
  • 01500508
In Man MicroSource US Drugs
  • 01500508
MLSMR
In Man NIH Clinical Collection
  • MLS001247039
Bioactive Prestwick Chemical
Bioactive SMDC Pharmakon
BindingDB.org
Bioactive Biocyc via PubChem
  • PROGESTERONE
Bioactive Bovine Metabolome
Bioactive ChEBI
ChEMBL20
ChEMBL 21
ChEMBL23
In Man ChEMBL DrugStore
In Man CSF Metabolome SMPDB
Bioactive DrugBank All
World Drugs DrugBank-approved
FDA Approved Drugs DrugBank FDA only
Bioactive DrugBank-Veterinary
FDA-approved drugs (via DSSTOX)
In Man Food Database
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_411
Bioactive Protein Databank
  • STR
Prous via PubChem
  • 231565
In Man Serum Metabolome
Bioactive SMDC MicroSource
SMDC Public
In Man SMPDB Small Molecule Pathway Database
Sweetlead
  • SW02025
The Broad via PubChem
  • BRD-A51738545-001-01-0
  • BRD-A67479912-001-02-6
  • BRD-K64994968-001-03-6
World Drugs TTD Approved
In Man TTD Clinical
UNPD
  • UNPD140981
In Man Urine Metabolome
87 Total Observations View All 14 Activities

Activities based on ChEMBL 20

Gene Name Class / Organism pKi (L.E.) Observations
SIGMAR1: Sigma non-opioid intracellular receptor 1 membrane receptor / Membrane-other (E) 6.62 (0.40) 6
FABP1: Fatty acid-binding protein, liver auxiliary transport protein / atp-fabp (E) 7.57 (0.46) 1
NR3C2: Mineralocorticoid receptor Transcription factor / NR (E) 9.41 (0.57) 6
SHBG: Sex hormone-binding globulin Secreted / secreted (E) 6.94 (0.42) 1
SLC22A3: Solute carrier family 22 member 3 Unclassified / unclassified (E) 5.37 (0.33) 1
Run SEA View All 13

SEA Predictions based on ChEMBL 20

Gene Description Target Class P-Value Max Tc
ADCY10 Adenylate cyclase type 10 enzyme / enzyme-other 0 60
NR1I3 Nuclear receptor subfamily 1 group I member 3 Transcription factor / NR 0 56
SLC22A3 Solute carrier family 22 member 3 Unclassified / unclassified 0 78
SLCO1A1 Solute carrier organic anion transporter family member 1A1 Unclassified / unclassified 0 72
TDP1 Tyrosyl-DNA phosphodiesterase 1 enzyme / enzyme-other 0 60
Find All

Interesting Analogs

Scaffold of this compound

ZINC4428529

ZINC4428529

3874742 ZINC3874742

Sources of Ambiguity Find More

Substance Rings

1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Molecular Patterns (Warnings, etc.)

ketone-mixed
Functional group
Propenals
Weak electrophile
alkene-internal-sp2
reagent
enolizable ketone
reagent
ketone-acyclic-sp3-sp3
reagent

View All 36 References

Doc Year Journal Volume Issue Pages Link
59306 – CHEMBL1909046
89585 2014 Bioorg. Med. Chem. Lett. 24 22 5265–5267 25305688
72819 2013 Bioorg. Med. Chem. 21 7 1844–1856 23462714
82356 2013 J. Med. Chem. 56 18 7137–7160 23734634
55827 2011 Bioorg. Med. Chem. Lett. 21 6 1744–1747 21349712

View All 155 Clinical Trials

Trial ID Title Status Phase Start Date Condition(s) Drug(s)
NCT02217410 CCFZ533X2201 - PoC Study in de Novo Renal Transplantation Not yet recruiting Phase 1/Phase 2 Feb 2015
Kidney Transplantation
CFZ533
Tacrolimus (Tac)
Mycophenolic acid (MPA)
Corticosteroids (CS)
anti-IL2 Induction
NCT02316938 Assessing DSA Formation, Diabetes, Viral Infections, Structural Kidney Changes With an Everolimus-based Regimen (ADVISE) Not yet recruiting Phase 4 Feb 2015
Kidney Failure
Everolimus and reduced CNI
Calcineurin Inhibitor and MPA
NCT02363127 Subcutaneous Progesterone Versus Vaginal Progesterone for Endometrial Preparation in Fresh Donated Oocytes Recipients Not yet recruiting Phase 4 Feb 2015
Infertility
vaginal progesterone
subcutaneous progesterone
NCT02372942 Lactoferrin or Progesterone for Prevention of Preterm Delivery Recruiting Phase 4 Feb 2015
Preterm Delivery
Lattoferrin
Progesterone
NCT02400021 Progesterone Supplementation for HIV-positive Pregnant Women on Anti-Retrovirals Not yet recruiting Phase 2 Feb 2015
HIV-1 Infection
Prometrium

Additional Identifiers (Synonyms/CAS Numbers/etc.)

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

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