UCSF

ZINC16691907

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 34 No

Popular Name: 2-[(4-ethoxyphenyl)sulfonyl-phenyl-amino]-N-[(2-oxoindolin-3-ylidene)amino]acetamide 2-[(4-ethoxyphenyl)sulfonyl-phen…

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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) 3.69 6.6 -23.25 2 9 0 121 478.53 8 ↓
Hi High (pH 8-9.5) 4.60 5.07 -61.5 1 9 -1 127 477.522 8 ↓
Hi High (pH 8-9.5) 4.15 4.85 -55.99 1 9 -1 124 477.522 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXYR-1-E Oxytocin Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.34 Functional ≤ 10μM
OXYR-1-E Oxytocin Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 36 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_HUMAN P30559 Oxytocin Receptor, Human 36 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Vasopressin-like receptors

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

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