UCSF

ZINC02559035

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: (S)-mcpg (S)-mcpg

Find On: PubMed — Wikipedia — Google

CAS Numbers: 146669-29-6 , 150145-89-4

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) 0.91 4.28 -79.86 3 5 -1 108 208.193 3 ↓

Vendor Notes

Note Type Comments Provided By
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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 4300 0.50 Functional ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 4300 0.50 Functional ≤ 10μM
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 630 0.58 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM1_HUMAN Q13255 Metabotropic Glutamate Receptor 1, Human 4300 0.50 Functional ≤ 10μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 4300 0.50 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1340 0.55 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

No pre-computed analogs available. Try a structural similarity search.