UCSF

ZINC03940680

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 31 No

Popular Name: ONO-4819 ONO-4819

Find On: PubMed — Wikipedia — Google

CAS Number: 256382-08-8

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) 1.73 -2.2 -14.59 2 6 0 93 450.597 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 56 0.33 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R3_MOUSE P30557 Prostanoid EP3 Receptor, Mouse 56 0.33 Binding ≤ 1μM
PE2R3_MOUSE P30557 Prostanoid EP3 Receptor, Mouse 56 0.33 Binding ≤ 10μM
PE2R4_MOUSE P32240 Prostanoid EP4 Receptor, Mouse 1.6 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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