UCSF

ZINC03779708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 28 Yes

Popular Name: N'-(6,7-dichloro-3-styryl-quinoxalin-2-yl)-N,N,N'-trimethyl-propane-1,3-diamine N'-(6,7-dichloro-3-styryl-quinox…

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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) 6.14 -0.11 -42.34 1 4 1 33 416.376 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0994848A1; WO1999001423A1 IBM Patent Data

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 4000 0.27 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 7000 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_RAT P30082 Glucagon Receptor, Rat 4000 0.27 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 7000 0.26 Functional ≤ 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.