3-Bromo-7-Nitroindazole
AlkaPlorer ID: AK006153
Synonym: None
IUPAC Name: 3-bromo-7-nitro-2H-indazole
Structure
SMILES: C1=CC2=C(NN=C2C(=C1)[N+](=O)[O-])Br
InChI: InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
InChIKey: NFSTZPMYAZRZPC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 242.03199999999995
TPSA？: 71.82
MolLogP？: 2.2336
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Nitric-oxide synthase, endothelial | IC50 | 2000.0 | nM | 10.1016/j.bmc.2008.04.056 |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Arachidonate 15-lipoxygenase | Potency | 12589.3 | nM | None |
| Homo sapiens | Bloom syndrome protein | Potency | 12.6 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 125.89 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | 251.19 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 1.0 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 251.2 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 251.19 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 251.2 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | 12589.25 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 12589.3 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 39810.7 | nM | None |
| Homo sapiens | Dopamine D1 receptor | Potency | 8.2 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 39810.7 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -0.83 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 4.82 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 56234.1 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 22387.2 | nM | None |
| Homo sapiens | MAP kinase ERK2 | Potency | 25118.9 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 39810.7 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 19952.6 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 39810.7 | nM | None |
| Homo sapiens | M-phase phosphoprotein 8 | Potency | 70794.6 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 8912.5 | nM | None |
| Homo sapiens | Nitric-oxide synthase, brain | IC50 | 170.0 | nM | 10.1016/j.bmc.2009.07.067 |
| Homo sapiens | Nitric oxide synthase, inducible | IC50 | 290.0 | nM | 10.1016/j.bmc.2009.07.067 |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 39810.7 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16360.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16788.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 31622.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 50118.7 | nM | None |
| Mus musculus | Nitric oxide synthase, inducible | IC50 | 2200.0 | nM | 10.1016/j.bmc.2008.04.056 |
| Mus musculus | RAW264.7 | IC50 | 80000.0 | nM | 10.1016/j.bmc.2008.04.056 |
| Rattus norvegicus | Muscarinic acetylcholine receptor M1 | Potency | 12589.3 | nM | None |
| Rattus norvegicus | Muscarinic acetylcholine receptor M1 | Potency | 25118.9 | nM | None |
| Rattus norvegicus | Nitric-oxide synthase, brain | Activity | 96.0 | % | 10.1016/j.bmc.2009.07.067 |
| Rattus norvegicus | Nitric-oxide synthase, brain | IC50 | 1800.0 | nM | 10.1016/j.bmc.2008.04.056 |
| Rattus norvegicus | Nitric-oxide synthase, brain | Inhibition | 95.0 | % | 10.1016/j.bmc.2009.07.067 |
| Rattus norvegicus | Nitric oxide synthase, inducible | Inhibition | 97.0 | % | 10.1016/j.bmc.2009.07.067 |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 446.7 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 56234.1 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 5.546 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 19.52 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.07 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.01 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 1.24 | % | 10.21203/rs.3.rs-23951/v1 |
| Trypanosoma brucei | 6-phospho-1-fructokinase | Potency | 9.5 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 17782.8 | nM | None |
| None | Unchecked | Inhibition | nan | % | 10.1038/nchembio873 |
| None | Unchecked | Potency | 1258.9 | nM | None |
| None | Unchecked | Potency | 2310.0 | nM | None |
| None | Unchecked | Potency | 6309.6 | nM | None |
| None | Unchecked | Potency | 14125.4 | nM | None |