UCSF

ZINC36160155

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 Yes

Popular Name: 7-[(2S)-2-[(3R)-4-(3-cyanophenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl]heptanoic 7-[(2S)-2-[(3R)-4-(3-cyanophenyl…

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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) 2.79 10.74 -60.27 1 6 -1 104 385.484 12 ↓
Lo Low (pH 4.5-6) 2.79 8.77 -20.38 2 6 0 102 386.492 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 388 0.32 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 96 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 388 0.32 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 388 0.32 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 96 0.35 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% )

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