UCSF

ZINC05029798

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 21 No

Popular Name: 2-[(3-methylquinoxalin-2-yl)aminoiminomethyl]phenol 2-[(3-methylquinoxalin-2-yl)amin…

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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) 3.31 5.28 -13.37 2 5 0 70 278.315 3 ↓
Hi High (pH 8-9.5) 3.31 6.05 -58.67 1 5 -1 73 277.307 3 ↓
Mid Mid (pH 6-8) 3.31 5.72 -37.99 3 5 1 72 279.323 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic Eukaryotes 4100 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 4100 0.36 Binding ≤ 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% )

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