Details of the Drug

General Information of Drug (ID: DMSA86Y)

• Drug Name: US9365572, 5
• Synonyms: BDBM236557; US9365572, 5
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 460.5
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C22H23F3N6O2
  IUPAC Name: 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-4a,5,6,6a,7,8,9,10,10a,10b-decahydropyrimido[5,4-c][1,5]naphthyridine-2,4-dione
  Canonical SMILES: C1CC(NC2C1NCC3C2N(C(=O)NC3=O)C4=CC=CC(=C4)C(F)(F)F)C5=CN=C(C=C5)N
  InChI: InChI=1S/C22H23F3N6O2/c23-22(24,25)12-2-1-3-13(8-12)31-19-14(20(32)30-21(31)33)10-27-16-6-5-15(29-18(16)19)11-4-7-17(26)28-9-11/h1-4,7-9,14-16,18-19,27,29H,5-6,10H2,(H2,26,28)(H,30,32,33)
  InChIKey: PPLLDCXSMMXDPV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 129012341
  TTD ID: D0Y3AM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ribosomal protein S6 kinase alpha-5 (RSK5)	TTYXEPL	KS6A5_HUMAN	Inhibitor	[1]

References

• [1] PI3K and/or mTOR inhibitor. US9365572.