UCSF

ZINC05764759

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 26 No

Popular Name: Relistor Relistor

Find On: PubMed — Wikipedia — Google

CAS Number: 73232-52-7

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) -2.63 -1.13 -52.08 2 5 1 66 356.442 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.29e-03 g/l DrugBank-approved

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 900 0.33 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 9 0.43 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 900 0.33 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 6.3 0.44 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 170 0.36 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 900 0.33 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 6.3 0.44 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 170 0.36 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% )