Details of the Drug

General Information of Drug (ID: DMMT1YQ)

Drug Name
Bropirimine
Synonyms
56741-95-8; 2-Amino-5-bromo-4-hydroxy-6-phenylpyrimidine; ABPP; 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL; Bropiriminum [Latin]; 2-Amino-5-bromo-6-phenyl-4(3H)-pyrimidinone; 2-amino-5-bromo-6-phenylpyrimidin-4(3H)-one; U-54461; Bropirimina [Spanish]; UNII-J57CTF25XJ; C10H8BrN3O; CCRIS 3730; 2-amino-5-bromo-6-phenyl-1H-pyrimidin-4-one; 2-Amino-5-bromo-6-phenyl-4(1H)-pyrimidinone; 4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-; BRN 0651807; J57CTF25XJ; 5-Bromo-6-phenylisocytosine; CHEBI:31307; 2-Amino-5-Bromo-6-Phenylpyrimidin-4-Ol
Indication
Disease Entry ICD 11 Status REF
Virus infection 1A24-1D9Z Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.09
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H8BrN3O
IUPAC Name
2-amino-5-bromo-4-phenyl-1H-pyrimidin-6-one
Canonical SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKey
CIUUIPMOFZIWIZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135413497
ChEBI ID
CHEMBL37387
CAS Number
56741-95-8
UNII
J57CTF25XJ
DrugBank ID
DB04168
TTD ID
D07RPR
INTEDE ID
DR1791
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Dihydroneopterinaldolase (Bact folB) TTG9CFY FOLB_ECOLI Inhibitor [2]
Interferon receptor (IFNR) TTV2CN0 NOUNIPROTAC Modulator [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 1A2 (CYP1A2)
Main DME 		DEJGDUW CP1A2_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
UDP-glucuronosyltransferase 1A1 OTH1C8OJ UD11_HUMAN Biotransformations [5]
UDP-glucuronosyltransferase 1A3 OTUEOER3 UD13_HUMAN Biotransformations [5]
UDP-glucuronosyltransferase 1A9 OTPCHAFX UD19_HUMAN Biotransformations [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000744)
2 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3 Comparison between circulating interferon and drug levels following administration of 2-amino-5-bromo-6-phenyl-4(3H)-pyrimidinone (ABPP) to different animal species. J Interferon Res. 1982;2(3):317-27.
4 Human biotransformation of bropirimine. Characterization of the major bropirimine oxidative metabolites formed in vitro. Drug Metab Dispos. 1998 Oct;26(10):1048-51.
5 Characterization of bropirimine O-glucuronidation in human liver microsomes. Xenobiotica. 2003 Oct;33(10):999-1011. doi: 10.1080/00498250310001602757.