UCSF

ZINC45259223

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 31 Yes

Popular Name: 4-fluoro-N-[[(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzam 4-fluoro-N-[[(4S)-2-oxo-6-(1H-py…

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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) 3.42 5.62 -17.13 3 7 0 96 434.349 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELOV1-1-E Elongation Of Very Long Chain Fatty Acids Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.23 Binding ≤ 10μM
ELOV3-1-E Elongation Of Very Long Chain Fatty Acids Protein 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.31 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.38 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ELOV3_HUMAN Q9HB03 Elongation Of Very Long Chain Fatty Acids Protein 3, Human 130 0.31 Binding ≤ 1μM
ELOV3_MOUSE O35949 Elongation Of Very Long Chain Fatty Acids Protein 3, Mouse 19 0.35 Binding ≤ 1μM
ELOV6_HUMAN Q9H5J4 Elongation Of Very Long Chain Fatty Acids Protein 6, Human 2.6 0.39 Binding ≤ 1μM
ELOV6_MOUSE Q920L5 Elongation Of Very Long Chain Fatty Acids Protein 6, Mouse 14 0.35 Binding ≤ 1μM
ELOV1_HUMAN Q9BW60 Elongation Of Very Long Chain Fatty Acids Protein 1, Human 7000 0.23 Binding ≤ 10μM
ELOV3_MOUSE O35949 Elongation Of Very Long Chain Fatty Acids Protein 3, Mouse 19 0.35 Binding ≤ 10μM
ELOV3_HUMAN Q9HB03 Elongation Of Very Long Chain Fatty Acids Protein 3, Human 130 0.31 Binding ≤ 10μM
ELOV6_MOUSE Q920L5 Elongation Of Very Long Chain Fatty Acids Protein 6, Mouse 14 0.35 Binding ≤ 10μM
ELOV6_HUMAN Q9H5J4 Elongation Of Very Long Chain Fatty Acids Protein 6, Human 2.6 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Circadian Clock
REV-ERBA represses gene expression
Synthesis of very long-chain fatty acyl-CoAs

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

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