UCSF

ZINC42966490

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 Yes

Popular Name: N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide N-[3-(difluoromethoxy)phenyl]pyr…

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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) 2.25 4.37 -11.88 1 4 0 51 264.231 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic Eukaryotes 340 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 340 0.48 Binding ≤ 1μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 80 0.52 Binding ≤ 1μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 80 0.52 Binding ≤ 10μM
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 340 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events

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