UCSF

ZINC13861512

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-hexylribofuranuronamide hemihydrate; Adenosine-5'-(N-hexyl)carboxamide hemihydrate; LS-143769; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-hexyl-, hemihydrate 1-(6-Amino-9H-purin-9-yl)-1-deox…

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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) 1.33 1.81 -15.17 5 10 0 148 364.406 7 ↓
Lo Low (pH 4.5-6) 1.33 2.06 -38.13 6 10 1 150 365.414 7 ↓
Lo Low (pH 4.5-6) 1.33 -2.34 -34.46 6 10 1 150 365.414 7 ↓

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 19 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXGR1_RAT Q6Y1R5 G Protein-coupled Receptor 80, Rat 19 0.42 Binding ≤ 1μM
OXGR1_RAT Q6Y1R5 G Protein-coupled Receptor 80, Rat 19 0.42 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% )