UCSF

ZINC00010037

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 24 Yes

Popular Name: N-[3-(4-methylphenyl)-1H-pyrazol-5-yl]indane-2-carboxamide N-[3-(4-methylphenyl)-1H-pyrazol…

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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) 3.91 9.88 -11.93 2 4 0 58 317.392 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY5R-2-E Neuropeptide Y Receptor Type 5 (cluster #2 Of 2), Eukaryotic Eukaryotes 80 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 80 0.41 Binding ≤ 1μM
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 80 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

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