V25

ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate

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is present as a standalone ligand in 4 entries

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Chemical Component Summary
Name	ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
Identifiers	ethyl 3-[(E)-2-amino-1-cyano-ethenyl]-6,7-dichloro-1-methyl-indole-2-carboxylate
Formula	C₁₅ H₁₃ Cl₂ N₃ O₂
Molecular Weight	338.189
Type	NON-POLYMER
Isomeric SMILES	CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=C\N)/C#N
InChI	InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-
InChIKey	CXJCGSPAPOTTSF-VURMDHGXSA-N

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB08691
Name	ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
Groups	experimental
Synonyms	ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dual specificity protein kinase CLK1	MRHSKRTYCPDWDDKDWDYGKWRSSSSHKRRKRSHSSAQENKRCKYNHSK...	unknown
Dual specificity protein kinase CLK3	MPVLSARRRELADHAGSGRRSGPSPTARSGPHLSALRAQPARAAHLSGRG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682