UCSF

ZINC01503084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 23 Yes

Popular Name: 1-(1-Benzylpiperidin-4-yl)-1,3-dihydro-indol-2-one 1-(1-Benzylpiperidin-4-yl)-1,3-d…

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) 3.17 1.34 -39.64 1 3 1 24 307.417 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 85 0.43 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 91 0.43 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 201 0.41 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 174 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 84.5 0.43 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 91.1 0.43 Binding ≤ 1μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 201 0.41 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 84.5 0.43 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 91.1 0.43 Binding ≤ 10μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 201 0.41 Binding ≤ 10μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 174 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

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

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