UCSF

ZINC66058904

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-[(1R)-1-[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-N-(2H-tetrazol-5-yl)benzamide 4-[(1R)-1-[3,5-bis[4-(trifluorom…

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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) 6.15 12.45 -51.41 1 10 -1 118 602.475 10 ↓

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 130 0.22 Binding ≤ 10μM
GIPR-1-E Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.17 Functional ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 130 0.22 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 130 0.22 Binding ≤ 10μM
GIPR_HUMAN P48546 Gastric Inhibitory Polypeptide Receptor, Human 6000 0.17 Functional ≤ 10μM
GLR_HUMAN P47871 Glucagon Receptor, Human 1300 0.19 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

Rings

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

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