UCSF

ZINC00670237

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

Popular Name: 2-{2-ethyl[(4-methylphenyl)sulfonyl]anilino}-N-(4-methoxybenzyl)acetamide 2-{2-ethyl[(4-methylphenyl)sulfo…

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Other Names:

MFCD02577832

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) 5.33 9.29 -16.66 1 6 0 76 452.576 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R1-1-E Prostanoid EP1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 25 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 25 0.33 Binding ≤ 1μM
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 25 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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

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