Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMRV89X)

Drug Name

Cl-amidine Drug Info

Synonyms

Cl-amidine; CHEMBL1962361; N-[(1S)-1-(Aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide; 913723-61-2; CHEMBL1910972; GTPL8685; US8969333, CI-amidine; SCHEMBL1979577; BDBM144279; ZINC71746281; BDBM50355657; 4373AJ; NE62957; HY-100574; CS-0019714; FT-0700077; (2S)-5-(2-chloroethanimidamido)-2-(phenylformamido)pentanamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 24970878
TTD Drug ID: DMRV89X

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Investigative Drug(s)

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Drug(s) Targeting Peptidyl arginine deiminase type III (PADI3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID24440480C3	DMHQK54	Discovery agent	N.A.	Investigative	[3]
streptonigrin	DM0HOEA	Discovery agent	N.A.	Investigative	[4]
PMID25742366C14b	DMDYT6P	Discovery agent	N.A.	Investigative	[2]
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Drug(s) Targeting Peptidyl arginine deiminase type IV (PADI4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID24440480C3	DMHQK54	Discovery agent	N.A.	Investigative	[3]
streptonigrin	DM0HOEA	Discovery agent	N.A.	Investigative	[5]
PMID25742366C14b	DMDYT6P	Discovery agent	N.A.	Investigative	[2]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Peptidyl arginine deiminase type III (PADI3)	TTSCHFW	PADI3_HUMAN	Inhibitor	[2]
Peptidyl arginine deiminase type IV (PADI4)	TTQHAXM	PADI4_HUMAN	Inhibitor	[2]

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References

1	The development of N-alpha-(2-carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine amide (o-F-amidine) and N-alpha-(2-carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine amide (o-Cl-amidine) as second generation protein arginine deiminase (PAD) inhibitors. J Med Chem. 2011 Oct 13;54(19):6919-35.
2	Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method. J Am Chem Soc. 2015 Mar 18;137(10):3616-21.
3	Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation. Bioorg Med Chem. 2014 Feb 15;22(4):1362-9.
4	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2878).
5	A fluopol-ABPP HTS assay to identify PAD inhibitors. Chem Commun (Camb). 2010 Oct 14;46(38):7175-7.