5RL

6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol

Created:	2015-11-17
Last modified:	2021-03-01

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1 entries where 5RL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	12

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Chemical Component Summary
Name	6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol
Synonyms	Apomorphine
Systematic Name (OpenEye OEToolkits)	6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol
Formula	C₁₇ H₁₇ N O₂
Molecular Weight	267.322
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34
SMILES	OpenEye OEToolkits	2.0.4	CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
Canonical SMILES	CACTVS	3.385	CN1CCc2cccc3c2[C@@H]1Cc4ccc(O)c(O)c34
Canonical SMILES	OpenEye OEToolkits	2.0.4	CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O
InChI	InChI	1.03	InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1
InChIKey	InChI	1.03	VMWNQDUVQKEIOC-ZDUSSCGKSA-N

Drug Info: DrugBank

DrugBank ID	DB16927
Name	S-Apomorphine
Groups	investigational
Synonyms	(+)-10,11-Dihydroxyaporphine 4h-dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (6as)- S-(+)-apomorphine (6as)-5,6,6a,7-tetrahydro-6-methyl-4h-dibenzo(de,g)quinoline-10,11-diol S-[+]-apomorphine S-Apomorphine Apomorphine, s-
CAS number	39478-62-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
D(1A) dopamine receptor	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIR...	unknown	inhibitor
D(2) dopamine receptor	MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVF...	unknown	inhibitor

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