Details of the Drug

General Information of Drug (ID: DM9GLQB)

• Drug Name: BDBM50444058
• Synonyms: CHEMBL3092769; SCHEMBL16435582; BDBM50444058
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 315.4
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C17H25N5O
  IUPAC Name: 4-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
  Canonical SMILES: CCCCNC1=NC=C(C(=N1)NCCCCO)C2=CC=CC=N2
  InChI: InChI=1S/C17H25N5O/c1-2-3-9-20-17-21-13-14(15-8-4-5-10-18-15)16(22-17)19-11-6-7-12-23/h4-5,8,10,13,23H,2-3,6-7,9,11-12H2,1H3,(H2,19,20,21,22)
  InChIKey: KKAICBOHJLVDCE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72793043
  TTD ID: D03RHV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TYRO3 tyrosine kinase receptor (TYRO3)	TTIEMFN	TYRO3_HUMAN	Inhibitor	[1]

References

• [1] Therapeutic uses of selected pyrimidine compounds with anti-Mer tyrosine kinase activity. US9649309.