UCSF

ZINC53122864

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 Yes

Popular Name: DNC013739 DNC013739

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104015-29-4 , 469-22-7

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

Vendor Notes

Note Type Comments Provided By
Patent Database Links US2007010507 ChEBI
therap µ-opioid receptor agonist, analgesic MicroSource Spectrum

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 10000 0.44 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 300 0.57 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 300 0.57 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 10000 0.44 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 300 0.57 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.44 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% )