UCSF

ZINC19862631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 26 Yes

Popular Name: A-769662 A-769662

Find On: PubMed — Wikipedia — Google

CAS Numbers: 8444499-71-4; 844499-71-4 , 844499-71-4 , [844499-71-4]

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) 4.31 5.85 -46.72 2 5 -1 100 359.386 2 ↓

Vendor Notes

Note Type Comments Provided By
Target AMPK Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AAPK1-1-E AMP-activated Protein Kinase, Alpha-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 116 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AAPK1_RAT P54645 AMP-activated Protein Kinase, Alpha-1 Subunit, Rat 116 0.37 Binding ≤ 1μM
AAPK1_RAT P54645 AMP-activated Protein Kinase, Alpha-1 Subunit, Rat 116 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Regulation of AMPK activity via LKB1
Regulation of Rheb GTPase activity by AMPK

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

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