Details of the Drug

General Information of Drug (ID: DM6IY4M)

Drug Name
Epiroprim
Synonyms
Epiroprim; Epiroprim [INN]; TCMDC-137295; 73090-70-7; Epiroprimum [INN-Latin]; Epiroprime [INN-French]; Epiroprima [INN-Spanish]; Ro 11-8958; UNII-9G69D95443; BRN 4273487; CHEMBL280378; C19H23N5O2; Ro-11-8958; 9G69D95443; 5-((3,5-Diethoxy-4-(1H-pyrrol-1-yl)phenyl)methyl)-2,4-pyrimidinediamine; Epiroprime; Epiroprimum; Epiroprima; 2,4-Diamino-5-(3,5-diethoxy-4-pyrrol-1-ylbenzyl)pyrimidine; 2,4-Pyrimidinediamine, 5-((3,5-diethoxy-4-(1H-pyrrol-1-yl)phenyl)methyl)-; Epir; AC1L2APS; SCHEMBL75698; AC1Q563X; DTXSID20223355; ZINC598590
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 353.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H23N5O2
IUPAC Name
5-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine
Canonical SMILES
CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CC3=CN=C(N=C3N)N
InChI
InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)
InChIKey
NMARPFMJVCXSAV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68916
ChEBI ID
CHEMBL280378
CAS Number
73090-70-7
TTD ID
D05AHQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Dihydrofolate reductase (Bact DHFR) TTV8DM2 DYR_ECOLI Modulator [2]
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 800002670)
2 In vitro activity of epiroprim, a dihydrofolate reductase inhibitor, singly and in combination with brodimoprim and dapsone, against Mycobacterium ... Int J Antimicrob Agents. 1999 Aug;12(4):319-23.