UCSF

ZINC13860558

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 25 Yes

Popular Name: 2-[3-ethyl-5-(1-hydroxyethyl)-2,6-diisopropyl-4-pyridyl]-5-fluoro-phenol 2-[3-ethyl-5-(1-hydroxyethyl)-2,…

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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) 5.64 7.09 -4.72 2 3 0 53 345.458 5 ↓
Lo Low (pH 4.5-6) 5.64 7.41 -25.93 3 3 1 55 346.466 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 5000 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 16 0.44 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 16 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Glucagon signaling in metabolic regulation
Glucagon-type ligand receptors

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

No pre-computed analogs available. Try a structural similarity search.