ZINC4978673 (Stearate)

In:
Added Available Since Mwt logP Heavy Atoms Tranche Download
2006-01-13 In-Stock 2015-08-07 284.484 6.333 20 CKEA
ZINC4978673
Draw
Find Decoys

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 -1 0 2 40 16 14.55 -43.2
492 Items Total

Vendors (62 Total)

Aldrich CPR
Molport
Building Blocks Alfa-Aesar
Building Blocks Combi-Blocks
Building Blocks Enamine Building Blocks
Building Blocks Frontier Scientific Services BB
Building Blocks Matrix Scientific
Building Blocks Molport BB
Building Blocks Sigma Aldrich (Building Blocks)
Building Blocks Vitas-M BB
A2Z Synthesis
Capot Chemical
Bioactive Cayman Chemical
Fluorochem
Hangzhou Yuhao Chemical Technology
  • LQ0012
  • LQ1020
IBScreen NP
Indofine
NCI Plated 2007
Oakwood Chemical
Otava
TimTec
Building Blocks Acros Organics
Building Blocks AK Scientific
Building Blocks Alfa Chemistry
Building Blocks Ark Pharm Building Blocks
Building Blocks AstaTech
Building Blocks BePharm Building Blocks
Building Blocks Bide Pharmatech BB
Building Blocks BOC Sciences BB
Building Blocks Boerchem Pharmatech BB
Building Blocks Chemik Building Blocks
Building Blocks Curpys Building Blocks
  • CUR-0013185
Building Blocks Debye Scientific Building Blocks
  • DB-023015
Building Blocks EDASA Scientific
  • BB0268543
Building Blocks FineTech
Building Blocks Hong Kong Chem Here
  • 4568-28-9
  • SCF12291
Building Blocks IBScreen BuildingBlocks
Building Blocks Lab Seeker Building Blocks
  • SC-15730
  • SC-81164
Building Blocks Life Chemicals Building Blocks
Building Blocks Molepedia
Building Blocks Nanjing Kaimubo Pharmatech
Building Blocks Oxchem Corp.
Building Blocks Pharmeks BB
Building Blocks StruChem BB
  • SC-15730
  • SC-81164
Building Blocks Tetrahedron Building Blocks
Building Blocks TimTec Building Blocks
Building Blocks W&J PharmaChem
  • 50A189257
AKOS
1717 CheMall Corporation
  • LP002990
  • LP003728
  • LP009102
  • LP009472
  • LP009626
  • LP010190
  • LP010966
  • LP011061
  • LP011217
  • LP011640
  • LP011680
  • LP012103
  • LP012219
  • LP012264
  • LP012511
  • LP012588
  • LP012626
  • LP012661
  • LP012671
  • LP012706
  • LP012989
  • LP013007
  • LP013159
  • LP013373
  • LP013491
  • LP013593
  • LP013687
  • LP013721
  • LP013764
  • LP013798
  • LP013925
  • LP014016
  • LP014080
  • LP014500
  • LP014520
  • LP014546
  • LP014755
  • LP014913
  • LP015091
  • LP015155
  • LP015183
  • LP015405
  • LP015430
  • LP015580
  • LP015654
  • LP015748
  • LP015865
  • LP016138
  • LP016147
  • LP016150
  • LP016151
  • LP016215
  • LP016226
  • LP016265
  • LP016323
  • LP016332
  • LP016374
  • LP016501
  • LP016518
  • LP016591
  • LP016598
  • LP016600
  • LP016604
  • LP016619
  • LP016669
  • LP016750
  • LP016768
  • LP017024
  • LP017071
  • LP017182
  • LP017189
  • LP017246
  • LP017253
  • LP017267
  • LP017287
  • LP017324
  • LP017327
  • LP017333
  • LP017356
  • LP017364
  • LP017569
  • LP017703
  • LP017718
  • LP017744
  • LP017830
  • LP017962
  • LP017980
  • LP018151
  • LP018328
  • LP018370
  • LP023574
  • LP063496
  • LP064130
  • LP064152
  • LP064252
  • LP064367
  • LP064630
  • LP065478
  • LP067182
  • LP068859
  • LP068890
  • LP068891
  • LP072295
  • LP072575
  • LP074762
  • LP075616
  • LP076186
  • LP076253
  • LP076510
  • LP076937
  • LP077039
  • LP077285
  • LP080139
  • LP080782
  • LP081044
  • LP081054
  • LP081498
  • LP082020
  • LP082775
  • LP083283
  • LP084318
  • LP084860
  • LP085033
  • LP085338
  • LP085665
  • LP086089
  • LP086701
  • LP086841
  • LP087894
  • LP090399
  • LP090916
  • LP092905
  • LP093209
  • LP093764
  • LP094488
  • LP095180
  • LP095320
  • LP095960
  • LP097155
  • LP097156
  • LP097675
  • LP099353
  • LP100828
  • LP101247
  • LP102087
  • LP102277
  • LP102278
  • LP103547
  • LP103871
  • LP105201
  • LP105503
  • LP105854
  • LP106015
  • LP108848
  • LP110905
  • LP112796
  • LP113520
  • LP113754
  • LP116540
  • LP117397
  • LP118543
  • LP118544
  • LP121611
  • LP122775
  • LP123544
  • LP123607
  • LP123655
Alfa Chemistry Make-on-demand
Ambinter
eMolecules
Molport Make-on-demand
Tractus
Wonderchem
Building Blocks Angene BB Make-on-demand
Building Blocks Angene Building Blocks
Building Blocks Ark Pharm BB Make-on-demand
Building Blocks Aromalake BB
  • LS60318
Building Blocks eMolecules Building Blocks
Building Blocks Lab Network Building Blocks
  • LN00196104
  • LN00198218
  • LN00198971
  • LN00221570
  • LN00222650
  • LN00223645
  • LN00224006
  • LN00225100
  • LN00226878
  • LN00241316
  • LN00242298
  • LN00338506
  • LN01245837
  • LN01306261
  • LN01744996
  • LN01746377
  • LN02125186
  • LN02126961
  • LN02135232
  • LN02135241
  • LN02138889
  • LN02178339
  • LN02178509
  • LN02178664
  • LN02179050
  • LN02184241
Building Blocks Molcore
84 Items Total

Annotated Catalogs (35 Total)

Biocore Pharmatech
  • BIE133394
  • BIE138494
  • BIE138778
  • BIE142621
  • BIE143913
Santiago.cz
  • 1002-89-7
  • 660-60-6
Building Blocks Element Store BB
BindingDB.org
Bioactive Biocyc via PubChem
  • STEARIC_ACID
Bioactive Bovine Metabolome
Bioactive ChEBI
ChEMBL20
ChEMBL 21
ChEMBL23
In Man ChEMBL DrugStore
In Man CSF Metabolome SMPDB
Bioactive DrugBank All
Bioactive DrugBank-experimental
FDA Approved Drugs DrugBank FDA only
FDA-approved drugs (via DSSTOX)
In Man Food Database
Natural Products Bioactive Herbal Ingredients Targets
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 Protein Databank
  • STE
In Man Serum Metabolome
In Man SMPDB Small Molecule Pathway Database
Bioactive StreptomeDB
Sweetlead
  • SW01576
Natural Products Bioactive TCM Database @ Taiwan
  • 26113
  • tcm03_007903
UNPD
  • UNPD154975
  • UNPD22264
In Man Urine Metabolome
Bioactive Yeast Metabolome
2 Total Observations

Activities based on ChEMBL 20

Gene Name Class / Organism pKi (L.E.) Observations
PPARA: Peroxisome proliferator-activated receptor alpha Transcription factor / NR (E) 5.96 (0.42) 1
PPARD: Peroxisome proliferator-activated receptor delta Transcription factor / NR (E) 5.22 (0.37) 1
Run SEA View All 42

SEA Predictions based on ChEMBL 20

Gene Description Target Class P-Value Max Tc
JHE Carboxylic ester hydrolase enzyme / enzyme-other 0 52
PLA2G2C Putative inactive group IIC secretory phospholipase A2 enzyme / enzyme-other 0 52
Q6UB75_PIG Group VII phospholipase A2 enzyme / enzyme-other 0 50
Q9GPG0_MANSE Carboxylic ester hydrolase Unclassified / unclassified 0 52
CDC25C M-phase inducer phosphatase 3 enzyme / phosphatase 0 48
Find All

Interesting Analogs

Scaffold of this compound

ZINC4978673

ZINC4978673

328579921 ZINC328579921

Sources of Ambiguity Find More

Substance Rings

This compound has no patterns of concern (or they have not yet been computed).

Molecular Patterns (Warnings, etc.)

carboxylate-sp3
Weak electrophile
heptanes
too floppy for docking (entropy)

References

Doc Year Journal Volume Issue Pages Link
71482 2013 Med Chem Res 22 7 3126–3133 10.1007/s00044-012-0285-6

Clinical Trials

This substance has not been detected to have been used in any clinical trials.

Additional Identifiers (Synonyms/CAS Numbers/etc.)

CAS Numbers
Molecule Names
  • CALCIUM STEARATE
  • MAGNESIUM STEARATE
  • SODIUM STEARATE
  • STEARIC ACID
Synonyms

Comments for this Resource