UCSF

ZINC28565633

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 12 No

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) -3.69 -2.06 -70.83 4 6 -1 128 194.103 3
Hi High (pH 8-9.5) -3.69 -0.28 -202.2 2 6 -3 129 192.087 3
Mid Mid (pH 6-8) -3.69 -0.91 -140.36 3 6 -2 131 193.095 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM4-2-E Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic Eukaryotes 7400 0.60 Binding ≤ 10μM
GRM4-2-E Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic Eukaryotes 7400 0.60 Binding ≤ 10μM
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 9400 0.59 Functional ≤ 10μM
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 9400 0.59 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 7400 0.60 Binding ≤ 10μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 9400 0.59 Functional ≤ 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% )