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
CAS Number
299442-43-6
TTD ID
D03UXO

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.