UCSF

ZINC03637916

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 Yes

Popular Name: 1-Allyl-3-(p-hydroxyphenyl)-3-methylpiperidine, hydrochloride; 3-(3-(1-Allyl-3-methylpiperidinyl))phenol, hydrochloride; LS-103857; Phenol, 3-(3-(1-allyl-3-methylpiperidinyl))-, hydrochloride; Piperidine, 1-allyl-3-(p-hydroxyphenyl)-3-methyl-, hydrochlori 1-Allyl-3-(p-hydroxyphenyl)-3-me…

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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) 3.11 0.86 -37.22 2 2 1 24 232.347 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 440 0.52 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 440 0.52 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 440 0.52 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 440 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 350 0.53 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 137 0.57 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 100 0.58 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 350 0.53 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1720 0.47 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 137 0.57 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 100 0.58 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 350 0.53 Binding ≤ 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% )