Details of the Drug

General Information of Drug (ID: DMS0EMU)

Drug Name
BDBM50444059
Synonyms CHEMBL3092768; SCHEMBL16435583; BDBM50444059
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL3092768
TTD ID
D0M9TR
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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