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]
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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
CAS Number: 73090-70-7
TTD ID: D05AHQ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.