UCSF

ZINC08034993

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 23 No

Popular Name: Oleoyl Ethanolamide Oleoyl Ethanolamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 111-58-0 , 1245477-09-1 , 946524-36-3 , [111-58-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.81 -1.63 -8.83 2 3 0 49 325.537 17 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links GP119_HUMAN; GP119_MOUSE; GP119_RAT; NAAA_HUMAN; NAAA_RAT ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CNR1-3-E Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic Eukaryotes 1100 0.36 Binding ≤ 10μM
PPARA-2-E Peroxisome Proliferator-activated Receptor Alpha (cluster #2 Of 3), Eukaryotic Eukaryotes 110 0.42 Binding ≤ 10μM
TRPV1-3-E Vanilloid Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 890 0.37 Functional ≤ 10μM
Z50425-4-O Plasmodium Falciparum (cluster #4 Of 22), Other Other 3162 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPARA_HUMAN Q07869 Peroxisome Proliferator-activated Receptor Alpha, Human 110 0.42 Binding ≤ 1μM
CNR1_HUMAN P21554 Cannabinoid CB1 Receptor, Human 1100 0.36 Binding ≤ 10μM
PPARA_HUMAN Q07869 Peroxisome Proliferator-activated Receptor Alpha, Human 110 0.42 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1995.26231 0.35 Functional ≤ 10μM
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 3650 0.33 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Circadian Clock
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
Nuclear Receptor transcription pathway
PPARA activates gene expression
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp
REV-ERBA represses gene expression
RORA activates circadian gene expression
Transcriptional activation of mitochondrial biogenesis
Transcriptional regulation of white adipocyte differentiation
TRP channels
YAP1- and WWTR1 (TAZ)-stimulated gene expression

Analogs ( Draw Identity 99% 90% 80% 70% )