239

6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE

Created:	2003-04-09
Last modified:	2020-06-05

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2 entries where 239 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	17

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Chemical Component Summary
Name	6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
Synonyms	6-[N-(4-(AMINOMETHYL)PHENYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
Systematic Name (OpenEye OEToolkits)	N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-naphthalene-2-carboxamide
Formula	C₁₉ H₁₈ N₄ O
Molecular Weight	318.372
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1ccc(cc1)CN)c3cc2ccc(C(=[N@H])N)cc2cc3
SMILES	CACTVS	3.341	NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)N
Canonical SMILES	CACTVS	3.341	NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N
InChI	InChI	1.03	InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
InChIKey	InChI	1.03	NLBDETRVUYOIHQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02398
Name	6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine
Groups	experimental
Synonyms	6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Urokinase-type plasminogen activator	MRALLARLLLCVLVVSDSKGSNELHQVPSNCDCLNGGTCVSNKYFSNIHW...	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