UCSF

ZINC33353700

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2009 37 No

Popular Name: (3R)-1-(3-chlorophenyl)-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl) (3R)-1-(3-chlorophenyl)-6,6-dime…

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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) 5.08 14.79 -26.79 1 6 0 75 529.946 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 245 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ELOV6_HUMAN Q9H5J4 Elongation Of Very Long Chain Fatty Acids Protein 6, Human 245 0.25 Binding ≤ 1μM
ELOV6_HUMAN Q9H5J4 Elongation Of Very Long Chain Fatty Acids Protein 6, Human 245 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
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.