Details of the Drug | DrugMAP

General Information of Drug (ID: DMR2UGC)

Drug Name	BDBM50444062
Synonyms	CHEMBL3092765; SCHEMBL16438343; BDBM50444062
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			340.5
	Logarithm of the Partition Coefficient (xlogp)			3
	Rotatable Bond Count (rotbonds)			8
	Hydrogen Bond Donor Count (hbonddonor)			3
	Hydrogen Bond Acceptor Count (hbondacc)			6
Chemical Identifiers	Formula C19H28N6 IUPAC Name 2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine Canonical SMILES CCCCNC1=NC=C(C(=N1)NCC2CCNCC2)C3=CC=CC=N3 InChI InChI=1S/C19H28N6/c1-2-3-9-22-19-24-14-16(17-6-4-5-10-21-17)18(25-19)23-13-15-7-11-20-12-8-15/h4-6,10,14-15,20H,2-3,7-9,11-13H2,1H3,(H2,22,23,24,25) InChIKey HVIDXJFXDHKCMO-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 72792975 TTD ID D08OEW

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]

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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.