UCSF

ZINC13737354

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 Yes

Popular Name: R-2 Methanandamide R-2 Methanandamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 157182-47-3 , 157182-48-4

Other Names:

S-2 Methanandamide

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) 6.01 10.89 -7.57 2 3 0 49 361.57 16 ↓

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 26 0.41 Binding ≤ 10μM
CNR1-3-E Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic Eukaryotes 630 0.33 Binding ≤ 10μM
CNR2-2-E Cannabinoid CB2 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 26 0.41 Binding ≤ 10μM
CNR2-2-E Cannabinoid CB2 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1790 0.31 Binding ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 47 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CNR1_RAT P20272 Cannabinoid CB1 Receptor, Rat 119 0.37 Binding ≤ 1μM
CNR2_RAT Q9QZN9 Cannabinoid CB2 Receptor, Rat 119 0.37 Binding ≤ 1μM
CNR1_RAT P20272 Cannabinoid CB1 Receptor, Rat 119 0.37 Binding ≤ 10μM
CNR2_RAT Q9QZN9 Cannabinoid CB2 Receptor, Rat 119 0.37 Binding ≤ 10μM
CNR2_MOUSE P47936 Cannabinoid CB2 Receptor, Mouse 1790 0.31 Binding ≤ 10μM
Z50594 Z50594 Mus Musculus 100 0.38 Functional ≤ 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% )