UCSF

ZINC02581406

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 15 Yes

Popular Name: MPEP MPEP

Find On: PubMed — Wikipedia — Google

CAS Numbers: 219911-35-0 , 96206-92-7 , [219911-35-0] , [96206-92-7]

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 8.42 -8.71 0 1 0 13 193.249 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity >99% Fluorochem
Target GluR Selleck Chemicals
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM5-3-E Metabotropic Glutamate Receptor 5 (cluster #3 Of 5), Eukaryotic Eukaryotes 4 0.78 Binding ≤ 10μM
GRM5-3-E Metabotropic Glutamate Receptor 5 (cluster #3 Of 5), Eukaryotic Eukaryotes 13 0.74 Binding ≤ 10μM
AOFA-2-E Monoamine Oxidase A (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.48 Functional ≤ 10μM
GRM1-5-E Metabotropic Glutamate Receptor 1 (cluster #5 Of 5), Eukaryotic Eukaryotes 36 0.69 Functional ≤ 10μM
GRM5-3-E Metabotropic Glutamate Receptor 5 (cluster #3 Of 5), Eukaryotic Eukaryotes 39 0.69 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 11 0.74 Binding ≤ 1μM
GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 12 0.74 Binding ≤ 1μM
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 11 0.74 Binding ≤ 10μM
GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 12 0.74 Binding ≤ 10μM
GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 36 0.69 Functional ≤ 10μM
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 1.5 0.82 Functional ≤ 10μM
GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 2.93 0.80 Functional ≤ 10μM
AOFA_MOUSE Q64133 Monoamine Oxidase A, Mouse 8000 0.48 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
Enzymatic degradation of dopamine by COMT
Enzymatic degradation of Dopamine by monoamine oxidase
G alpha (q) signalling events
Metabolism of serotonin
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2
Norepinephrine Neurotransmitter Release Cycle

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