(1Z)-2-[6-[[amino-[(Z)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Internal ID | a8d17836-7c0d-4a6e-834a-8583a61d8444 |
Taxonomy | Benzenoids > Benzene and substituted derivatives > Halobenzenes > Chlorobenzenes |
IUPAC Name | (1Z)-2-[6-[[amino-[(Z)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine |
SMILES (Canonical) | C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl |
SMILES (Isomeric) | C1=CC(=CC=C1N/C(=N\C(=NCCCCCCN=C(/N=C(\NC2=CC=C(C=C2)Cl)/N)N)N)/N)Cl |
InChI | InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34) |
InChI Key | GHXZTYHSJHQHIJ-UHFFFAOYSA-N |
Popularity | 79 references in papers |
Molecular Formula | C22H30Cl2N10 |
Molecular Weight | 505.40 g/mol |
Exact Mass | 504.2031964 g/mol |
Topological Polar Surface Area (TPSA) | 178.00 Ų |
XlogP | 0.10 |
55-56-1 |
SCHEMBL21496944 |
![2D Structure of (1Z)-2-[6-[[amino-[(Z)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine 2D Structure of (1Z)-2-[6-[[amino-[(Z)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine](https://plantaedb.com/storage/docs/compounds/2023/07/8265f750-2506-11ee-b789-e724b63ce100.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL2903 | P16050 | Arachidonate 15-lipoxygenase |
39810.7 nM |
Potency |
via CMAUP
|
CHEMBL2179 | P04062 | Beta-glucocerebrosidase |
16343.3 nM |
Potency |
via CMAUP
|
CHEMBL4096 | P04637 | Cellular tumor antigen p53 |
7.9 nM |
Potency |
via CMAUP
|
CHEMBL3356 | P05177 | Cytochrome P450 1A2 |
15848.93 nM |
AC50 |
via CMAUP
|
CHEMBL3622 | P33261 | Cytochrome P450 2C19 |
7943.28 nM |
AC50 |
via CMAUP
|
CHEMBL3397 | P11712 | Cytochrome P450 2C9 |
15848.9 nM |
Potency |
via CMAUP
|
CHEMBL289 | P10635 | Cytochrome P450 2D6 |
7943.28 nM |
AC50 |
via CMAUP
|
CHEMBL340 | P08684 | Cytochrome P450 3A4 |
31622.8 nM 31622.8 nM |
Potency Potency |
via CMAUP
via CMAUP |
CHEMBL2362978 | P43351 | DNA repair protein RAD52 homolog |
1700 nM |
AC50 |
via CMAUP
|
CHEMBL5514 | P42858 | Huntingtin |
14125.4 nM |
Potency |
via CMAUP
|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha |
31622.8 nM |
Potency |
via CMAUP
|
CHEMBL4040 | P28482 | MAP kinase ERK2 |
25118.9 nM |
Potency |
via CMAUP
|
CHEMBL321 | P14780 | Matrix metalloproteinase 9 |
7630 nM |
IC50 |
PMID: 20053563
|
CHEMBL333 | P08253 | Matrix metalloproteinase-2 |
7630 nM |
IC50 |
PMID: 20053563
|
CHEMBL259 | P32245 | Melanocortin receptor 4 |
1997 nM |
IC50 |
via CMAUP
|
CHEMBL1743126 | Q96FL8 | Multidrug and toxin extrusion protein 1 |
700 nM |
IC50 |
PMID: 23241029
|
CHEMBL1743127 | Q86VL8 | Multidrug and toxin extrusion protein 2 |
500 nM |
IC50 |
PMID: 23241029
|
CHEMBL2362980 | Q06710 | Paired box protein Pax-8 |
5690 nM |
AC50 |
via CMAUP
|
CHEMBL1293235 | P02545 | Prelamin-A/C |
1778.3 nM 35.5 nM |
Potency Potency |
via CMAUP
via CMAUP |
CHEMBL1741200 | Q2TB90 | Putative hexokinase HKDC1 |
8990 nM |
IC50 |
via CMAUP
|
CHEMBL5685 | O15245 | Solute carrier family 22 member 1 |
210 nM |
IC50 |
PMID: 23241029
|
CHEMBL1743122 | O15244 | Solute carrier family 22 member 2 |
400 nM |
IC50 |
PMID: 23241029
|
CHEMBL2073673 | O75751 | Solute carrier family 22 member 3 |
410 nM |
IC50 |
PMID: 23241029
|
CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
15848.9 nM 15848.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
CHEMBL6089 | P61088 | Ubiquitin-conjugating enzyme E2 N |
3012 nM 2197 nM |
IC50 IC50 |
via CMAUP
via CMAUP |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
CHEMBL3401 | O75469 | Pregnane X receptor | 96.13% | 94.73% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.43% | 86.92% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 89.20% | 96.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.68% | 94.45% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.35% | 90.24% |
CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 87.08% | 94.67% |
CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 87.04% | 95.52% |
CHEMBL2721 | P43005 | Excitatory amino acid transporter 3 | 86.68% | 93.50% |
CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 85.65% | 98.75% |
CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 84.84% | 93.81% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.23% | 96.00% |
CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.96% | 92.29% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.59% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.85% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.64% | 95.89% |
CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.41% | 95.48% |
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.
To see more specific details click the taxa you are interested in.
Chaenomeles sinensis |