Details of the Drug

General Information of Drug (ID: DMSB2YG)

Drug Name
NKY80
Synonyms NKY 80; NKY-80; adenylyl cyclase type V Inhibitor
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 229.23
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C12H11N3O2
IUPAC Name
2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
Canonical SMILES
C1C(CC(=O)C2=CN=C(N=C21)N)C3=CC=CO3
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)
InChIKey
SOJUSNIBPPMLCC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2772368
ChEBI ID
CHEMBL1456284
CAS Number
299442-43-6
TTD ID
D03UXO
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenylate cyclase type 5 (AC5) TTN64VU ADCY5_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5233).
2 Type-specific regulation of adenylyl cyclase. Selective pharmacological stimulation and inhibition of adenylyl cyclase isoforms. J Biol Chem. 2001 Dec 21;276(51):47785-93.