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

Topological Polar Surface Area (xlogp)

1.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:31307
CAS Number: 56741-95-8
DrugBank ID: DB04168
TTD ID: D07RPR
INTEDE ID: DR1791

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]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 1A2 (CYP1A2)_{Main DME}	DEJGDUW	CP1A2_HUMAN	Substrate	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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13	Identification of P450 enzymes involved in metabolism of verapamil in humans. Naunyn Schmiedebergs Arch Pharmacol. 1993 Sep;348(3):332-7.
14	Metabolism and metabolic inhibition of xanthotoxol in human liver microsomes. Evid Based Complement Alternat Med. 2016;2016:5416509.
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16	Inhibition of human immunodeficiency virus type 1 replication by Z-100, an immunomodulator extracted from human-type tubercle bacilli, in macrophages. J Gen Virol. 2004 Sep;85(Pt 9):2603-13.
17	US patent application no. 2004,0229,936, Treatment of hepatitis c virus infection with sesquiterpene lactones.