2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide

Details

Top
Internal ID e2ab02df-fed3-4a18-9d2d-8a7dc121a4be
Taxonomy Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids
IUPAC Name 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H23N5O/c1-6(2)8(9(13)14)15-10(16)7(12)4-3-5-11/h6-8H,3-5,11-12H2,1-2H3,(H3,13,14)(H,15,16)
InChI Key VWMHHNLTLJJMOG-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H23N5O
Molecular Weight 229.32 g/mol
Exact Mass 229.19026037 g/mol
Topological Polar Surface Area (TPSA) 131.00 Ų
XlogP -1.20

Synonyms

Top
2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide

2D Structure

Top
2D Structure of 2,5-diamino-N-(1-amino-1-imino-3-methylbutan-2-yl)pentanamide

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 98.57% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.97% 96.09%
CHEMBL2514 O95665 Neurotensin receptor 2 93.59% 100.00%
CHEMBL2581 P07339 Cathepsin D 93.28% 98.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 92.41% 97.21%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 90.88% 100.00%
CHEMBL4581 P52732 Kinesin-like protein 1 90.32% 93.18%
CHEMBL3359 P21462 Formyl peptide receptor 1 90.14% 93.56%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 90.04% 96.03%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 89.39% 92.29%
CHEMBL4822 P56817 Beta-secretase 1 89.34% 97.35%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.07% 99.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 88.93% 90.24%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 88.17% 96.47%
CHEMBL2094135 Q96BI3 Gamma-secretase 87.96% 98.05%
CHEMBL3776 Q14790 Caspase-8 87.71% 97.06%
CHEMBL3437 Q16853 Amine oxidase, copper containing 87.69% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.47% 94.45%
CHEMBL236 P41143 Delta opioid receptor 87.13% 99.35%
CHEMBL3837 P07711 Cathepsin L 87.00% 96.61%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 86.74% 97.29%
CHEMBL3308 P55212 Caspase-6 86.27% 97.56%
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 86.24% 96.28%
CHEMBL2413 P32246 C-C chemokine receptor type 1 85.71% 89.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 85.52% 94.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.49% 90.71%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 85.39% 98.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.25% 91.11%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 81.91% 85.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.65% 96.95%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 80.65% 97.23%
CHEMBL1255126 O15151 Protein Mdm4 80.07% 90.20%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 139591703
LOTUS LTS0176454
wikiData Q104199852