SNB

1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE

Created:	2009-02-08
Last modified:	2011-06-04

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1 entries where SNB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

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Chemical Component Summary
Name	1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE
Systematic Name (OpenEye OEToolkits)	1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
Formula	C₁₆ H₁₃ Br Cl N O
Molecular Weight	350.638
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc3cccc(C1=NCCc2cc(OC)c(Cl)cc12)c3
SMILES	CACTVS	3.352	COc1cc2CCN=C(c3cccc(Br)c3)c2cc1Cl
SMILES	OpenEye OEToolkits	1.6.1	COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br
Canonical SMILES	CACTVS	3.352	COc1cc2CCN=C(c3cccc(Br)c3)c2cc1Cl
Canonical SMILES	OpenEye OEToolkits	1.6.1	COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br
InChI	InChI	1.03	InChI=1S/C16H13BrClNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3
InChIKey	InChI	1.03	IKGXHBGCVQTQBH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB08555
Name	1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
Groups	experimental
Description	1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline is a solid. This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. This medication is known to target mitogen-activated protein kinase 10.
Synonyms	1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Mitogen-activated protein kinase 10	MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYS...	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