General Information of the Compound
Compound ID
CP0040036
Compound Name
(S)-5-Acetimidoylamino-2-amino-pent
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Synonyms
(S)-5-Acetimidoylamino-2-amino-pent
(e)-n5-(1-aminoethylidene)-l-ornithine
36889-13-1
AC1L333Z
AC1Q5QLF
AKOS030623044
BDBM152697
BDBM50072297
C7H15N3O2
CCG-204768
CHEMBL11471
DB03305
HSCI1_000259
ILO
L-NIO
L-NIO, 12
L-Ornithine, N5-(1-iminoethyl)-
Lopac-I-8768
Lopac0_000683
MolPort-006-394-636
N(G)-Iminoethylornithine
N5-(1-Iminoethyl)-L-ornithine
N5-Iminoethyl-L-Ornithine
NCGC00015568-01
NCGC00024644-01
SCHEMBL1569333
Tocris-0546
UYZFAUAYFLEHRC-LURJTMIESA-N
ZINC1886324
l-n5-(1-iminoethyl)-ornithine
n5-Iminoethyl-l-ornithine
n5-iminoethyl-l-ornithine
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Structure
Formula
C7H15N3O2
Molecular Weight
173.216
Canonical SMILES
CC(N)=NCCC[C@H](N)C(O)=O
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InChI
InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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InChIKey
UYZFAUAYFLEHRC-LURJTMIESA-N
Physicochemical Property
logP
-0.4444
Rotatable Bonds
5
Heavy Atom Count
12
Polar Areas
101.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 107984
SID: 15195048
ChEMBL ID
CHEMBL11471
DrugBank ID
DB03305
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01406, Nitric oxide synthase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 9000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 230 nM
2 Ki = 1700 nM
Protein ID: PT01856, Nitric oxide synthase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 810 nM
Protein ID: PT01472, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 340 nM
Protein ID: PT01718, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 9000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3900 nM
Clinical Information about the Compound
Drug 1 ( L-NIO )
Drug Name L-NIO
Target(s)
Nitric-oxide synthase inducible (NOS2)
Inhibitor
Nitric-oxide synthase brain (NOS1)
Inhibitor
Nitric-oxide synthase endothelial (NOS3)
Inhibitor