UCSF

ZINC14243646

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 43 No

Popular Name: 2-(N-Acetyl-N-(2-methoxy-3-octadecylcarbamoyloxypropoxycarbonyl)aminomethyl)-1-ethylpyridinium; CV 6209; CV 6209 Chloride; LS-184309; Pyridinium, 2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethyl-, chloride 2-(N-Acetyl-N-(2-methoxy-3-octad…

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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) 4.69 18.67 -37.1 1 9 1 98 606.869 27 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7 0.27 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 75 0.23 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 55 0.24 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 12 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 7.2 0.27 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 7.2 0.27 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 55 0.24 Functional ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 11 0.26 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 11 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (q) signalling events
Interferon gamma signaling

Rings

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