Details of the Drug

General Information of Drug (ID: DM8UOY6)

• Drug Name: MHHFJYABEVJNEG-UHFFFAOYSA-N
• Synonyms: CHEMBL1076743; SCHEMBL3036046; MHHFJYABEVJNEG-UHFFFAOYSA-N; BDBM50313340; 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide; N-[4-(aminosulfonyl)-2-methylphenyl]-6-(dipropylamino)pyrimidine-4-carboxamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 391.5
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C18H25N5O3S
  IUPAC Name: 6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
  Canonical SMILES: CCCN(CCC)C1=NC=NC(=C1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)C
  InChI: InChI=1S/C18H25N5O3S/c1-4-8-23(9-5-2)17-11-16(20-12-21-17)18(24)22-15-7-6-14(10-13(15)3)27(19,25)26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)(H2,19,25,26)
  InChIKey: MHHFJYABEVJNEG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25182905
  TTD ID: D0I5TH

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.