UCSF

ZINC06718987

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2006 30 Yes

Popular Name: N-[1-(ethoxymethyl)-3-methyl-butyl]-4-[(8-methyl-3,7,9-triazabicyclo[4.3.0]nona-1,3,5,8-tetraen-7-yl N-[1-(ethoxymethyl)-3-methyl-but…

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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) 3.15 7.63 -16.55 1 7 0 86 430.574 10 ↓
Lo Low (pH 4.5-6) 3.15 7.99 -46.97 2 7 1 87 431.582 10 ↓

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 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 0.1 0.47 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 0.1 0.47 Binding ≤ 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% )