Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0YP0A
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| Former ID |
DIB019151
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| Drug Name |
Cl-amidine
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| 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
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C14H19ClN4O2
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| Canonical SMILES |
C1=CC=C(C=C1)C(=O)NC(CCCN=C(CCl)N)C(=O)N
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| InChI |
1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
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| InChIKey |
BPWATVWOHQZVRP-NSHDSACASA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Peptidyl arginine deiminase type III (PADI3) | Target Info | Inhibitor | [2] |
| Peptidyl arginine deiminase type IV (PADI4) | Target Info | Inhibitor | [2] | |
| References | Top | |||
|---|---|---|---|---|
| REF 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. | |||
| REF 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. | |||
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