UCSF

ZINC05000876

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 28 Yes

Popular Name: 3-(3-methoxyphenyl)-1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridyl]-urea 3-(3-methoxyphenyl)-1-[1-[(4-met…

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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) 3.17 7.73 -27.37 2 7 0 82 379.416 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R3-1-E Prostanoid EP3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 794 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 794.328235 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Prostanoid ligand receptors

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

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