Details of the Drug

General Information of Drug (ID: DM867BJ)

Drug Name
SLV320
Synonyms SLV-320; 4-[(4-phenyl-3,5,7-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)amino]cyclohexan-1-ol
Indication
Disease Entry ICD 11 Status REF
Heart failure BD10-BD13 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 308.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H20N4O
IUPAC Name
4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
Canonical SMILES
C1CC(CCC1NC2=NC(=NC3=C2C=CN3)C4=CC=CC=C4)O
InChI
InChI=1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)
InChIKey
RBZNJGHIKXAKQE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9953065
CAS Number
251945-92-3
DrugBank ID
DB12446
TTD ID
D0F5UN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Antagonist [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: 3281).
2 Role of matrix metalloproteinases and their tissue inhibitors as potential biomarkers of left ventricular remodelling in the athlete's heart. Clin Sci (Lond). 2009 Jul 16;117(4):157-64.