UCSF

ZINC03995850

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Substance Information

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

Popular Name: 4-aminocyclopentane-1,2,4-tricarboxylic 4-aminocyclopentane-1,2,4-tricar…

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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) -3.32 3.1 -167.53 3 7 -2 148 215.161 3 ↓
Lo Low (pH 4.5-6) -3.32 1.36 -87.47 4 7 -1 145 216.169 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 7000 0.48 Binding ≤ 10μM
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 7200 0.48 Functional ≤ 10μM
GRM8-1-E Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic Eukaryotes 5100 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 7000 0.48 Binding ≤ 10μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 1740 0.54 Functional ≤ 10μM
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 7200 0.48 Functional ≤ 10μM
GRM8_RAT P70579 Metabotropic Glutamate Receptor 8, Rat 5100 0.49 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% )