UCSF

ZINC64512573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 17 Yes

Popular Name: 4-(3-Bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol 4-(3-Bromopyrazolo[1,5-a]pyrimid…

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CAS Numbers: 945376-95-4 , [945376-95-4]

Other Names:

DNC014890

MFCD13193719

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) 2.77 4.84 -8.95 1 4 0 50 290.12 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AAKB1-1-E AMP-activated Protein Kinase, Beta-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.42 Binding ≤ 10μM
AAKG1-1-E AMP-activated Protein Kinase, Gamma-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.42 Binding ≤ 10μM
AAPK2-1-E AMP-activated Protein Kinase, Alpha-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AAPK2_HUMAN P54646 AMP-activated Protein Kinase, Alpha-2 Subunit, Human 7700 0.42 Binding ≤ 10μM
AAKB1_HUMAN Q9Y478 AMP-activated Protein Kinase, Beta-1 Subunit, Human 7700 0.42 Binding ≤ 10μM
AAKG1_HUMAN P54619 AMP-activated Protein Kinase, Gamma-1 Subunit, Human 7700 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of PPARGC1A (PGC-1alpha) by phosphorylation
AMPK inhibits chREBP transcriptional activation activity
Import of palmitoyl-CoA into the mitochondrial matrix
Regulation of AMPK activity via LKB1
Regulation of Rheb GTPase activity by AMPK
Translocation of GLUT4 to the plasma membrane

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

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