SAF

3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL

Created:	2001-12-04
Last modified:	2011-06-04

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2 entries where SAF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL
Systematic Name (OpenEye OEToolkits)	3-[(1S)-1-dimethylaminoethyl]phenol
Formula	C₁₀ H₁₅ N O
Molecular Weight	165.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1cc(ccc1)C(N(C)C)C
SMILES	CACTVS	3.341	C[CH](N(C)C)c1cccc(O)c1
SMILES	OpenEye OEToolkits	1.5.0	CC(c1cccc(c1)O)N(C)C
Canonical SMILES	CACTVS	3.341	C[C@H](N(C)C)c1cccc(O)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](c1cccc(c1)O)N(C)C
InChI	InChI	1.03	InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1
InChIKey	InChI	1.03	GQZXRLWUYONVCP-QMMMGPOBSA-N

Drug Info: DrugBank

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

DrugBank ID	DB04556
Name	NAP-226-90
Groups	experimental
Synonyms	3-((1S)-1-(Dimethylamino)ethyl)phenol NAP-226-90 (-)-3-((1S)-1-(Dimethylamino)ethyl)phenol
Categories	Amines Benzene Derivatives Ethylamines
CAS number	139306-10-8

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
Acetylcholinesterase	MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...	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