UCSF

ZINC28375880

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 35 Yes

Popular Name: 5-trans Fluprostenol isopropyl ester 5-trans Fluprostenol isopropyl e…

Find On: PubMed — Wikipedia — Google

CAS Number: 1563176-59-9

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) 4.21 7.64 -12.2 3 6 0 96 500.554 14 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6011062 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.29 Binding ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.34 Functional ≤ 10μM
Z80530-2-O Swiss-3T3 (Fibroblast Cells) (cluster #2 Of 2), Other Other 3 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PF2R_BOVIN P37289 Prostanoid FP Receptor, Bovin 52 0.29 Binding ≤ 1μM
PF2R_BOVIN P37289 Prostanoid FP Receptor, Bovin 52 0.29 Binding ≤ 10μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 2.7 0.34 Functional ≤ 10μM
Z80530 Z80530 Swiss-3T3 (Fibroblast Cells) 2.7 0.34 Functional ≤ 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.