NKY80   Click here for help

GtoPdb Ligand ID: 5233

Synonyms: adenylyl cyclase type V Inhibitor | NKY 80 | NKY-80
Compound class: Synthetic organic
Comment: NKY80 is an adenine-like small molecule which acts as an adenylyl cyclase inhibitor, exhibiting modest selectivity for AC5/6 over other adenylyl cyclase isoforms [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 82.01
Molecular weight 229.09
XLogP -0.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1ncc2c(n1)CC(CC2=O)c1ccco1
Isomeric SMILES Nc1ncc2c(n1)CC(CC2=O)c1ccco1
InChI InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)
InChI Key SOJUSNIBPPMLCC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-7-(furan-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
Synonyms Click here for help
adenylyl cyclase type V Inhibitor | NKY 80 | NKY-80
Database Links Click here for help
CAS Registry No. 299442-43-6
ChEMBL Ligand CHEMBL1456284
GtoPdb PubChem SID 178101917
PubChem CID 2772368
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Tocris
NKY 80
Cat. No. 5071