UCSF

ZINC08689957

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 23 Yes

Popular Name: Linoleoyl Ethanolamide Linoleoyl Ethanolamide

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CAS Numbers: 1451194-69-6 , 68171-52-8

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) 6.09 9.09 -8.94 2 3 0 49 323.521 16 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links FAAH1_CAEEL 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 4600 0.32 Binding ≤ 10μM
FAAH1-6-E Anandamide Amidohydrolase (cluster #6 Of 7), Eukaryotic Eukaryotes 7586 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 7580 0.31 Binding ≤ 10μM
CNR1_RAT P20272 Cannabinoid CB1 Receptor, Rat 10000 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events

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