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ID: ALA1604052
Max Phase: Preclinical
Molecular Formula: C20H8Br2HgNa2O6
Molecular Weight: 750.66
Molecule Type: Small molecule
Associated Items:
Associated Targets(Human)
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)
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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
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CASP7 Tchem Caspase-7 (3146 Activities)
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SMN1 Tchem Survival motor neuron protein (34246 Activities)
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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
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MAPT Tclin Microtubule-associated protein tau (95507 Activities)
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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)
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MAPK1 Tchem MAP kinase ERK2 (25055 Activities)
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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)
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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
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CASP1 Tchem Caspase-1 (6235 Activities)
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BLM Tchem Bloom syndrome protein (4248 Activities)
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
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KAT2A Tchem Histone acetyltransferase GCN5 (14285 Activities)
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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
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VDR Tclin Vitamin D receptor (26531 Activities)
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POLK Tbio DNA polymerase kappa (8653 Activities)
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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
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Associated Targets(non-human)
Cruzipain (33337 Activities)
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Rorc Nuclear receptor ROR-gamma (89407 Activities)
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Impa1 Inositol monophosphatase 1 (16203 Activities)
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FTL Ferritin light chain (43324 Activities)
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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 750.66 | Molecular Weight (Monoisotopic): 749.8189 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):