UCSF

ZINC00968043

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 13 Yes

Popular Name: (S)-3,5 DHPG (S)-3,5 DHPG

Find On: PubMed — Wikipedia — Google

CAS Numbers: 146255-66-5 , 162870-29-3

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) -2.36 -2.45 -39.02 5 5 0 108 183.163 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 8.09e+00 g/l DrugBank-experimental
Purity >99% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM1-3-E Metabotropic Glutamate Receptor 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 900 0.65 Binding ≤ 10μM
GRM1-4-E Metabotropic Glutamate Receptor 1 (cluster #4 Of 5), Eukaryotic Eukaryotes 6600 0.56 Functional ≤ 10μM
GRM5-2-E Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic Eukaryotes 1900 0.62 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 900 0.65 Binding ≤ 1μM
GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 900 0.65 Binding ≤ 10μM
GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 6600 0.56 Functional ≤ 10μM
GRM1_RAT P23385 Metabotropic Glutamate Receptor 1, Rat 6600 0.56 Functional ≤ 10μM
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 1900 0.62 Functional ≤ 10μM
GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 6600 0.56 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% )