Details of the Drug

General Information of Drug (ID: DMCQHG4)

Drug Name

FR-183998

Synonyms

FR-183998; AC1OCFC6; SCHEMBL6134503; 3-N-(diaminomethylidene)-5-(2,5-dichlorothiophen-3-yl)-1-N-(2-dimethylaminoethyl)benzene-1,3-dicarboxamide dihydrochloride; 3-(2,5-dichlorothiophen-3-yl)-N-[2-(dimethylamino)ethyl]-5-guanidinocarbonylbenzamide dihydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

501.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C17H21Cl4N5O2S
IUPAC Name: 3-N-(diaminomethylidene)-5-(2,5-dichlorothiophen-3-yl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide;dihydrochloride
Canonical SMILES: CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(SC(=C2)Cl)Cl)C(=O)N=C(N)N.Cl.Cl
InChI: InChI=1S/C17H19Cl2N5O2S.2ClH/c1-24(2)4-3-22-15(25)10-5-9(12-8-13(18)27-14(12)19)6-11(7-10)16(26)23-17(20)21;;/h5-8H,3-4H2,1-2H3,(H,22,25)(H4,20,21,23,26);2*1H
InChIKey: NPUVTFLPUFCAOB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6918360
TTD ID: D05DNA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium/hydrogen exchanger (SLC)	TT70SZ3	NOUNIPROTAC	Modulator	[2]

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 800009190)
2	Protective effect of FR183998, a Na+/H+ exchanger inhibitor, and its inhibition of iNOS induction in hepatic ischemia-reperfusion injury in rats. Shock. 2008 Sep;30(3):311-7.