UCSF

ZINC66058826

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 43 No

Popular Name: 3-[[4-[(1S)-1-[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic 3-[[4-[(1S)-1-[3,5-bis[4-(triflu…

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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) 6.34 12.91 -56.18 1 8 -1 106 606.499 12 ↓

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 250 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 250 0.21 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 250 0.21 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

Rings

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

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