SU6

3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

Created:	2013-04-02
Last modified:	2020-06-05

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2 entries where SU6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	11

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Chemical Component Summary
Name	3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
Synonyms	SU6668
Systematic Name (OpenEye OEToolkits)	3-[2,4-dimethyl-5-[(Z)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
Formula	C₁₈ H₁₈ N₂ O₃
Molecular Weight	310.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCc1c(c(nc1C)/C=C3/c2ccccc2NC3=O)C
SMILES	CACTVS	3.370	Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O
Canonical SMILES	CACTVS	3.370	Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
InChIKey	InChI	1.03	NHFDRBXTEDBWCZ-ZROIWOOFSA-N

Drug Info: DrugBank

DrugBank ID	DB12072
Name	Orantinib
Groups	investigational
Description	Orantinib has been used in trials studying the treatment of Lung Cancer, Breast Cancer, Kidney Cancer, Gastric Cancer, and Prostate Cancer, among others.
Synonyms	Orantinibum Orantinib
Categories	Acids, Acyclic Alkaloids Enzyme Inhibitors Fatty Acids Fatty Acids, Volatile Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Indolizidines Indolizines Lipids Protein Kinase Inhibitors
CAS number	252916-29-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Vascular endothelial growth factor receptor 2	MQSKVLLAVALWLCVETRAASVGLPSVSLDLPRLSIQKDILTIKANTTLQ...	unknown	inhibitor
Aurora kinase A	MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCP...	unknown	inhibitor
Fibroblast growth factor receptor 1	MWSWKCLLFWAVLVTATLCTARPSPTLPEQAQPWGAPVEVESFLVHPGDL...	unknown	inhibitor
Aurora kinase B	MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPT...	unknown	inhibitor
Peroxisome proliferator-activated receptor gamma	MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...	unknown	agonist

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