UCSF

ZINC49109990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 35 Yes

Popular Name: 6-(2,2,2-Trifluoroethoxy)-N-[2-[[[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]amino]ethyl]nicotinamide 6-(2,2,2-Trifluoroethoxy)-N-[2-[…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1003576-00-8 , [1003576-00-8]

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) 2.82 5.33 -20.86 2 8 0 98 501.387 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 44 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 22 0.31 Binding ≤ 1μM
DGAT1_MOUSE Q9Z2A7 Diacylglycerol O-acyltransferase 1, Mouse 44 0.29 Binding ≤ 1μM
DGAT1_MOUSE Q9Z2A7 Diacylglycerol O-acyltransferase 1, Mouse 44 0.29 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 22 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acyl chain remodeling of DAG and TAG
Triglyceride Biosynthesis

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

No pre-computed analogs available. Try a structural similarity search.