UCSF

ZINC43017312

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 30 Yes

Popular Name: 3-(Pyridin-2-ylsulfonyl)-N-(4-(trifluoromethyl)phenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide 3-(Pyridin-2-ylsulfonyl)-N-(4-(t…

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CAS Numbers: 1170321-92-2 , [1170321-92-2]

Other Names:

MFCD22419483

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) 3.55 6.95 -22.68 1 6 0 79 439.459 4 ↓

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 6940 0.24 Binding ≤ 10μM
ELOV6-1-E Elongation Of Very Long Chain Fatty Acids Protein 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 79 0.33 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 79 0.33 Binding ≤ 1μM
ELOV6_MOUSE Q920L5 Elongation Of Very Long Chain Fatty Acids Protein 6, Mouse 30 0.35 Binding ≤ 1μM
ELOV3_HUMAN Q9HB03 Elongation Of Very Long Chain Fatty Acids Protein 3, Human 6940 0.24 Binding ≤ 10μM
ELOV6_HUMAN Q9H5J4 Elongation Of Very Long Chain Fatty Acids Protein 6, Human 79 0.33 Binding ≤ 10μM
ELOV6_MOUSE Q920L5 Elongation Of Very Long Chain Fatty Acids Protein 6, Mouse 30 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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