UCSF

ZINC04097036

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 22 No

Popular Name: CODEINONE CODEINONE

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CAS Number: 467-13-0

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) 1.22 1.23 -66.68 1 4 1 39 298.362 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links COR11_PAPSO; COR12_PAPSO; COR13_PAPSO; COR14_PAPSO; COR15_PAPSO; COR2_PAPSO; DIOX1_PAPSO ChEBI
PUBCHEM_PATENT_ID EP0898961A1 IBM Patent Data
Patent Database Links US2006014771; WO2008109156 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 459 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 294 0.42 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 294 0.42 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% )