UCSF

ZINC43199871

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 41 No

Popular Name: (3S)-6,6-dimethyl-3-[5-methyl-3-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1-phenyl-3-(trif (3S)-6,6-dimethyl-3-[5-methyl-3-…

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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) 5.40 12.79 -32.4 1 7 0 84 579.497 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELOV3-1-E Elongation Of Very Long Chain Fatty Acids Protein 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 337 0.22 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.27 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 337 0.22 Binding ≤ 1μM
ELOV3_MOUSE O35949 Elongation Of Very Long Chain Fatty Acids Protein 3, Mouse 194 0.23 Binding ≤ 1μM
ELOV6_HUMAN Q9H5J4 Elongation Of Very Long Chain Fatty Acids Protein 6, Human 8.9 0.27 Binding ≤ 1μM
ELOV6_MOUSE Q920L5 Elongation Of Very Long Chain Fatty Acids Protein 6, Mouse 31 0.26 Binding ≤ 1μM
ELOV3_MOUSE O35949 Elongation Of Very Long Chain Fatty Acids Protein 3, Mouse 194 0.23 Binding ≤ 10μM
ELOV3_HUMAN Q9HB03 Elongation Of Very Long Chain Fatty Acids Protein 3, Human 337 0.22 Binding ≤ 10μM
ELOV6_HUMAN Q9H5J4 Elongation Of Very Long Chain Fatty Acids Protein 6, Human 8.9 0.27 Binding ≤ 10μM
ELOV6_MOUSE Q920L5 Elongation Of Very Long Chain Fatty Acids Protein 6, Mouse 31 0.26 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% )