Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0C4DE
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| Former ID |
DIB019242
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| Drug Name |
PMID25742366C14b
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| Synonyms |
GTPL8684
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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 |
C21H26Cl2N4O2
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| Canonical SMILES |
C1=CC=C(C(=C1)C2=CC=CC(=C2)CN3C(C(NC3=O)CCCNC(CCl)N)O)Cl
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| InChI |
1S/C21H26Cl2N4O2/c22-12-19(24)25-10-4-9-18-20(28)27(21(29)26-18)13-14-5-3-6-15(11-14)16-7-1-2-8-17(16)23/h1-3,5-8,11,18-20,25,28H,4,9-10,12-13,24H2,(H,26,29)
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| InChIKey |
TXEBWPPWSVMYOA-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Peptidyl arginine deiminase type III (PADI3) | Target Info | Inhibitor | [1] |
| Peptidyl arginine deiminase type IV (PADI4) | Target Info | Inhibitor | [1] | |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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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