UCSF

ZINC58523515

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 37 Yes

Popular Name: N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-4-piperidyl]-6-(methylamino)pyridine-3-carboxam N-[1-[[3,5-diethoxy-4-(4-fluorop…

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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) 4.59 11.89 -55.58 3 7 1 77 507.63 10 ↓
Hi High (pH 8-9.5) 4.59 9.63 -12.59 2 7 0 76 506.622 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SSR5-1-E Somatostatin Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SSR5_HUMAN P35346 Somatostatin Receptor 5, Human 2.5 0.33 Binding ≤ 1μM
SSR5_HUMAN P35346 Somatostatin Receptor 5, Human 2.5 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

Rings

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

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