UCSF

ZINC45301910

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 22 Yes

Popular Name: N,4-dimethyl-N-[4-(4-pyridyl)thiazol-2-yl]benzamide N,4-dimethyl-N-[4-(4-pyridyl)thi…

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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) 2.96 8.8 -11.09 0 4 0 46 309.394 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM1-2-E Metabotropic Glutamate Receptor 1 (cluster #2 Of 5), Eukaryotic Eukaryotes 83 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 83 0.45 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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