Details of the Drug

General Information of Drug (ID: DM3OPBR)

• Drug Name: ZNFTXQFGUIKQQE-UHFFFAOYSA-N
• Synonyms: CHEMBL1076708; 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide; 6-(cyclohexyl(ethyl)amino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide; SCHEMBL3029985; ZNFTXQFGUIKQQE-UHFFFAOYSA-N; BDBM50313322
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 354.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H26N4O2
  IUPAC Name: 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
  Canonical SMILES: CCN(C1CCCCC1)C2=NC=NC(=C2)C(=O)NC3=C(C=C(C=C3)O)C
  InChI: InChI=1S/C20H26N4O2/c1-3-24(15-7-5-4-6-8-15)19-12-18(21-13-22-19)20(26)23-17-10-9-16(25)11-14(17)2/h9-13,15,25H,3-8H2,1-2H3,(H,23,26)
  InChIKey: ZNFTXQFGUIKQQE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25182763
  TTD ID: D0LT2N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate receptor 3 (S1PR3)	TTDYP7I	S1PR3_HUMAN	Inhibitor	[1]

References

• [1] 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis. US9150519.