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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK322763

Synonym: None

IUPAC Name: (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid

Structure

SMILES: CC(=N)NCCCC[C@H](N)C(=O)O

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InChI: InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1

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InChIKey: ONYFNWIHJBLQKE-ZETCQYMHSA-N

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Reference

PubChem CID: 2733506

NPASS: NPC478850

Properties Information

Molecule Weight: 187.243

TPSA？: 99.2

MolLogP？: 0.1553700000000002

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis Activity nan None 10.1038/nchembio842
Bacillus subtilis Bacillus subtilis MIC 5000000.0 nM 10.1038/nchembio842
Homo sapiens Cytochrome P450 1A2 AC50 39810.72 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 Potency 1995.3 nM None
Homo sapiens DLD-1 IC50 2800.0 nM 10.1021/jm0255926
Homo sapiens Nitric-oxide synthase, brain IC50 1500.0 nM 10.1021/jm0255926
Homo sapiens Nitric-oxide synthase, brain IC50 1600.0 nM 10.1021/jm031035n
Homo sapiens Nitric-oxide synthase, brain IC50 6000.0 nM 10.1016/j.bmcl.2007.10.073
Homo sapiens Nitric-oxide synthase, brain IC50 17500.0 nM 10.1016/j.bmcl.2004.06.033
Homo sapiens Nitric-oxide synthase, brain IC50 17500.0 nM 10.1016/j.bmcl.2004.09.019
Homo sapiens Nitric-oxide synthase, brain IC50 18400.0 nM 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric-oxide synthase, brain IC50 35000.0 nM 10.1021/jm030348f
Homo sapiens Nitric-oxide synthase, brain IC50 61000.0 nM 10.1021/jm950766n
Homo sapiens Nitric-oxide synthase, brain IC50 61000.0 nM 10.1021/jm9706675
Homo sapiens Nitric-oxide synthase, brain IC50 61659.5 nM 10.1016/j.bmcl.2011.05.073
Homo sapiens Nitric-oxide synthase, brain Selectivity 7.0 None 10.1021/jm030348f
Homo sapiens Nitric-oxide synthase, endothelial IC50 2400.0 nM 10.1016/s0960-894x(01)00119-6
Homo sapiens Nitric-oxide synthase, endothelial IC50 2400.0 nM 10.1021/jm031035n
Homo sapiens Nitric-oxide synthase, endothelial IC50 2500.0 nM 10.1016/j.bmcl.2007.10.073
Homo sapiens Nitric-oxide synthase, endothelial IC50 2600.0 nM 10.1021/jm0255926
Homo sapiens Nitric-oxide synthase, endothelial IC50 7900.0 nM 10.1016/j.bmcl.2004.06.033
Homo sapiens Nitric-oxide synthase, endothelial IC50 7900.0 nM 10.1016/j.bmcl.2004.09.019
Homo sapiens Nitric-oxide synthase, endothelial IC50 7900.0 nM 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric-oxide synthase, endothelial IC50 38000.0 nM 10.1021/jm9706675
Homo sapiens Nitric-oxide synthase, endothelial IC50 100000.0 nM 10.1016/j.bmcl.2011.05.073
Homo sapiens Nitric-oxide synthase, endothelial IC50 138000.0 nM 10.1021/jm030348f
Homo sapiens Nitric-oxide synthase, endothelial IC50 138000.0 nM 10.1021/jm950766n
Homo sapiens Nitric-oxide synthase, endothelial Ratio 3.7 uM 10.1016/j.bmcl.2004.06.033
Homo sapiens Nitric-oxide synthase, endothelial Selectivity 28.0 None 10.1021/jm030348f
Homo sapiens Nitric-oxide synthase (endothelial and brain) Selectivity 8.3 None 10.1016/j.bmcl.2004.09.019
Homo sapiens Nitric oxide synthase, inducible IC50 100.0 nM 10.1021/jm0255926
Homo sapiens Nitric oxide synthase, inducible IC50 130.0 nM 10.1016/s0960-894x(01)00119-6
Homo sapiens Nitric oxide synthase, inducible IC50 130.0 nM 10.1021/jm031035n
Homo sapiens Nitric oxide synthase, inducible IC50 280.0 nM 10.1016/j.bmcl.2007.10.073
Homo sapiens Nitric oxide synthase, inducible IC50 1400.0 nM 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric oxide synthase, inducible IC50 2100.0 nM 10.1016/j.bmcl.2004.06.033
Homo sapiens Nitric oxide synthase, inducible IC50 2100.0 nM 10.1016/j.bmcl.2004.09.019
Homo sapiens Nitric oxide synthase, inducible IC50 4600.0 nM 10.1021/jm950766n
Homo sapiens Nitric oxide synthase, inducible IC50 4677.35 nM 10.1016/j.bmcl.2011.05.073
Homo sapiens Nitric oxide synthase, inducible IC50 4900.0 nM 10.1021/jm030348f
Homo sapiens Nitric oxide synthase, inducible IC50 5000.0 nM 10.1021/jm9706675
Homo sapiens Nitric oxide synthase, inducible IC50 31000.0 nM 10.1016/j.bmcl.2007.10.073
Homo sapiens Nitric oxide synthase, inducible IC50 470000000.0 nM 10.1016/s0960-894x(01)00119-6
Homo sapiens Nitric oxide synthase (inducible and endothelial) Selectivity 3.7 None 10.1016/j.bmcl.2004.09.019
Homo sapiens Nitric oxide synthase (inducible and endothelial) Selectivity index 30.0 None 10.1021/jm9706675
Homo sapiens Nitric oxide sythases; iNOS & nNOS Ratio 8.3 uM 10.1016/j.bmcl.2004.06.033
Homo sapiens Nitric oxide sythases; iNOS & nNOS Ratio IC50 21.0 None 10.1016/j.bmcl.2007.10.073
Homo sapiens Nitric oxide sythases; iNOS & nNOS Selectivity 5.6 None 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric oxide sythases; iNOS & nNOS Selectivity 13.1 None 10.1016/s0960-894x(00)00389-9
Homo sapiens Nitric oxide sythases; iNOS & nNOS Selectivity index 12.0 None 10.1021/jm9706675
Homo sapiens Thyroid stimulating hormone receptor Potency 5011.9 nM None
Mus musculus Nitric oxide synthase, inducible IC50 3300.0 nM 10.1021/jm00049a007
Mus musculus Nitric oxide synthase, inducible Ki 2160.0 nM 10.1016/s0960-894x(00)00171-2
Mus musculus Nitric oxide synthase, inducible kinact 0.35 min-1 10.1016/s0960-894x(00)00171-2
Mus musculus RAW264.7 Activity 11.3 uM 10.1016/j.bmcl.2009.05.070
Mus musculus RAW264.7 Activity 29.0 % 10.1016/j.ejmech.2019.07.030
Mus musculus RAW264.7 Activity 93.3 % 10.1021/acs.jnatprod.8b00418
Mus musculus RAW264.7 Activity nan None 10.1016/j.ejmech.2019.111955
Mus musculus RAW264.7 IC50 1550.0 nM 10.1021/acs.jnatprod.8b00182
Mus musculus RAW264.7 IC50 7000.0 nM 10.1021/acs.jnatprod.8b00418
Mus musculus RAW264.7 IC50 15800.0 nM 10.1016/j.bmcl.2015.01.034
Mus musculus RAW264.7 IC50 15800.0 nM 10.1021/acs.jnatprod.8b00229
Mus musculus RAW264.7 IC50 18600.0 nM 10.1021/np020412g
Mus musculus RAW264.7 IC50 20140.0 nM 10.1016/j.bmcl.2013.12.018
Mus musculus RAW264.7 IC50 28290.0 nM 10.1016/j.bmcl.2017.10.035
Mus musculus RAW264.7 IC50 200000.0 nM 10.1021/np020412g
Mus musculus RAW264.7 Inhibition 31.5 % 10.1016/j.bmcl.2019.126884
Mus musculus RAW264.7 Inhibition 50.0 % 10.1016/j.bmcl.2013.12.018
Mus musculus RAW264.7 Inhibition 65.76 % 10.1016/j.bmcl.2013.12.018
Rattus norvegicus Nitric-oxide synthase, brain IC50 1600.0 nM 10.1016/s0960-894x(01)00119-6
Rattus norvegicus Nitric oxide synthase, inducible IC50 92000.0 nM 10.1021/jm00049a007
Rattus norvegicus Rattus norvegicus ID50 9.0 umol.kg-1 10.1021/jm0255926
None NON-PROTEIN TARGET IC50 7500.0 nM 10.1021/acs.jnatprod.6b00355
None Nucleic Acid INH 27.0 Miller_unit 10.1038/nchembio842
None Nucleic Acid Kd 11000.0 nM 10.1038/nchembio842
None Unchecked Ratio IC50 9.0 None 10.1016/j.bmcl.2007.10.073
None Unchecked Selectivity 13.0 None 10.1021/jm950766n
None Unchecked Selectivity 28.0 None 10.1021/jm00049a007
None Unchecked Selectivity 30.0 None 10.1021/jm950766n

Metabolism Information