UCSF

ZINC64549811

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 35 Yes

Popular Name: N-[3-chloro-4-[4-(1-piperidyl)-1-piperidyl]phenyl]-2,2-diphenyl-acetamide N-[3-chloro-4-[4-(1-piperidyl)-1…

Find On: PubMed — Wikipedia — Google

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) 6.34 16.86 -42.46 2 4 1 37 489.083 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY2R-1-E Neuropeptide Y Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.29 Functional ≤ 10μM
O70424-1-E Neuropeptide Y-Y2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 79 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY2R_HUMAN P49146 Neuropeptide Y Receptor Type 2, Human 50.1187234 0.29 Functional ≤ 10μM
O70424_RAT O70424 Neuropeptide Y-Y2 Receptor, Rat 79.4328235 0.28 Functional ≤ 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.