UCSF

ZINC28124558

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 24 Yes

Popular Name: 1-oxazolo[4,5-b]pyridin-2-yl-8-phenyl-octan-1-one 1-oxazolo[4,5-b]pyridin-2-yl-8-p…

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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) 5.21 10.16 -12.53 0 4 0 56 322.408 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EST1-6-E Carboxylesterase (cluster #6 Of 7), Eukaryotic Eukaryotes 5 0.48 Binding ≤ 10μM
FAAH1-5-E Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EST1_HUMAN P23141 Acyl Coenzyme A:cholesterol Acyltransferase, Human 5 0.48 Binding ≤ 1μM
FAAH1_MOUSE O08914 Anandamide Amidohydrolase, Mouse 0.39 0.55 Binding ≤ 1μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 0.3 0.56 Binding ≤ 1μM
EST1_HUMAN P23141 Acyl Coenzyme A:cholesterol Acyltransferase, Human 5 0.48 Binding ≤ 10μM
FAAH1_MOUSE O08914 Anandamide Amidohydrolase, Mouse 0.39 0.55 Binding ≤ 10μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 0.3 0.56 Binding ≤ 10μM

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