UCSF

ZINC03914872

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 44 No

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (2-methylbutyl)carbamate; Carbamic acid, (2-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-50072; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(2'-methyl)butylcarbamoylo (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) 2.09 0.49 -20.98 1 13 0 134 617.696 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 470 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 470 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

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