UCSF

ZINC66066335

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 27 Yes

Popular Name: N-[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]pyrimidine-4-carboxamide N-[4-[(2-chlorobenzoyl)amino]-3-…

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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) 2.65 6.55 -15.47 2 7 0 93 382.807 5 ↓

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 1330 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 894 0.31 Binding ≤ 1μM
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 1330 0.30 Binding ≤ 10μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 894 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

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