UCSF

ZINC13861517

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 32 Yes

Popular Name: (2S,3S,4R,5R)-N-(8-acetamidooctyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide (2S,3S,4R,5R)-N-(8-acetamidoocty…

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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) 0.59 1.57 -23.48 6 12 0 178 449.512 11 ↓
Lo Low (pH 4.5-6) 0.59 1.83 -45.03 7 12 1 179 450.52 11 ↓
Lo Low (pH 4.5-6) 0.59 -2.58 -42.12 7 12 1 179 450.52 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXGR1-1-E G Protein-coupled Receptor 80 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXGR1_RAT Q6Y1R5 G Protein-coupled Receptor 80, Rat 10 0.35 Binding ≤ 1μM
OXGR1_RAT Q6Y1R5 G Protein-coupled Receptor 80, Rat 10 0.35 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% )