UCSF

ZINC36190022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 37 No

Popular Name: 3-[2-[[(1R,4S,5R,6S)-6-[4-(decylcarbamoyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-5-yl]methyl]phenyl] 3-[2-[[(1R,4S,5R,6S)-6-[4-(decyl…

Find On: PubMed — Wikipedia — Google

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) 6.63 12.3 -53.58 1 7 -1 104 509.667 16 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5100889; US5153327 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 5.8 0.31 Binding ≤ 1μM
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 5.8 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (12/13) signalling events
G alpha (q) signalling events
Prostanoid ligand receptors
Thromboxane signalling through TP receptor

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