Details of the Drug

General Information of Drug (ID: DMGF7XC)

Drug Name
MAR--99
Synonyms BRN 5609020
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 303.31
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H17N3O4
IUPAC Name
2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid
Canonical SMILES
CCC(C)OC1=CC=CC=C1NC2=NC=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C15H17N3O4/c1-3-9(2)22-12-7-5-4-6-11(12)17-15-16-8-10(14(20)21)13(19)18-15/h4-9H,3H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKey
GPASXNHOXQCREW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
127154
CAS Number
98772-05-5
TTD ID
D0C7LA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Leukotriene receptor (LTR) TTTWGIX NOUNIPROTAC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Effect of 1,6-dihydro-2[2-(2-methylpropoxy)anilino]-6-oxo-5-pyrimidineca rboxyli c acid on ethanol-induced microvascular injury in rats. Arzneimittelforschung. 1996 Aug;46(8):779-83.