UCSF

ZINC14243287

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 45 No

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate; LS-97952; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-octanoyloxymethylpiperazine; Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester (1,4-Bis(3,4,5-trimethoxybenzoyl…

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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) 3.62 13.26 -20.68 0 12 0 122 630.735 17 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 310 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 310 0.20 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% )