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
UNII
O1Q96UZ63W
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.