Details of the Drug

General Information of Drug (ID: DMS0EMU)

• Drug Name: BDBM50444059
• Synonyms: CHEMBL3092768; SCHEMBL16435583; BDBM50444059
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 301.39
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C16H23N5O
  IUPAC Name: 3-[[2-(butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
  Canonical SMILES: CCCCNC1=NC=C(C(=N1)NCCCO)C2=CC=CC=N2
  InChI: InChI=1S/C16H23N5O/c1-2-3-8-19-16-20-12-13(14-7-4-5-9-17-14)15(21-16)18-10-6-11-22/h4-5,7,9,12,22H,2-3,6,8,10-11H2,1H3,(H2,18,19,20,21)
  InChIKey: BQWLIDAUTKRGNB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72793042
  TTD ID: D0M9TR

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.