Detailed information for compound 1255536
Basic information
Technical information
- TDR Targets ID: 1255536
- Name: N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H- imidazol-2-amine hydrochloride
- MW: 392.451 | Formula: C9H9Cl3IN3
-
H donors: 2
H acceptors: 0
LogP: 3.69
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1cc(I)cc(c1N=C1NCCN1)Cl.Cl
- InChi: 1S/C9H8Cl2IN3.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2H2,(H2,13,14,15);1H
- InChiKey: ULCGXOSKNHMYAX-UHFFFAOYSA-N
Network
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Synonyms
- N-(2,6-dichloro-4-iodo-phenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
- (2,6-dichloro-4-iodo-phenyl)-(4,5-dihydro-1H-imidazol-2-yl)amine hydrochloride
- EU-0100664
- 2-[(2,6-Dichloro-4-iodophenyl)imino]imidazoline hydrochloride
- I114_SIGMA
- p-Iodoclonidine hydrochloride
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | solute carrier family 5 (sodium/choline cotransporter), member 7 | Starlite/ChEMBL | No references |
| Homo sapiens | ubiquitin specific peptidase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | Bloom syndrome, RecQ helicase-like | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0210766 | 0.0200418 | 0.0200418 |
| Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0912485 | 1 | 1 |
| Brugia malayi | Serotonin/octopamine receptor family protein 7 | 0.0210766 | 0.0200418 | 0.0200418 |
| Echinococcus granulosus | carboxylesterase 5A | 0.0912485 | 1 | 1 |
| Echinococcus granulosus | acetylcholinesterase | 0.0912485 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0912485 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0210766 | 0.0200418 | 0.0200418 |
| Echinococcus multilocularis | acetylcholinesterase | 0.0912485 | 1 | 1 |
| Brugia malayi | Carboxylesterase family protein | 0.0912485 | 1 | 1 |
| Echinococcus granulosus | acetylcholinesterase | 0.0912485 | 1 | 1 |
| Brugia malayi | Carboxylesterase family protein | 0.0912485 | 1 | 1 |
| Onchocerca volvulus | Nischarin homolog | 0.0196415 | 0 | 0.5 |
| Echinococcus multilocularis | acetylcholinesterase | 0.0912485 | 1 | 1 |
| Echinococcus multilocularis | carboxylesterase 5A | 0.0912485 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0912485 | 1 | 1 |
| Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0912485 | 1 | 1 |
| Loa Loa (eye worm) | carboxylesterase | 0.0912485 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0292376 | 0.134011 | 0.134011 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | = -5 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -4.9 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -4.9 | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | 0.842789586 uM | PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 10 point CRC. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | 1.115133789 uM | PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] | ChEMBL. | No reference |
| Potency (functional) | = 0.1259 um | PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] | ChEMBL. | No reference |
| Potency (functional) | = 0.1259 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] | ChEMBL. | No reference |
| Potency (functional) | 0.1585 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 6.3096 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV. (Class of assay: confirmatory) [Related pubchem assays: 1705, 1707 ] | ChEMBL. | No reference |
| Potency (functional) | 70.7946 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | 19734910 | |
| Homo sapiens | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL1255758
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.