3LP

1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL

Created:	2007-03-28
Last modified:	2011-06-04

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1 entries where 3LP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	0

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Chemical Component Summary
Name	1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
Systematic Name (OpenEye OEToolkits)	(2S)-1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
Formula	C₂₂ H₃₂ N₂ O
Molecular Weight	340.502
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(CNC1CCCCC1)Cn2c4c(c3c2CCCC3)cc(cc4)C
SMILES	CACTVS	3.341	Cc1ccc2n(C[CH](O)CNC3CCCCC3)c4CCCCc4c2c1
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc2c(c1)c3c(n2CC(CNC4CCCCC4)O)CCCC3
Canonical SMILES	CACTVS	3.341	Cc1ccc2n(C[C@@H](O)CNC3CCCCC3)c4CCCCc4c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3
InChI	InChI	1.03	InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1
InChIKey	InChI	1.03	AXYFCRIRLKSCRR-SFHVURJKSA-N

Drug Info: DrugBank

DrugBank ID	DB07061
Name	1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
Groups	experimental
Synonyms	1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glycylpeptide N-tetradecanoyltransferase 2	MAEDSESAASQQSLELDDQDTCGIDGDNEEETEHAKGSPGGYLGAKKKKK...	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