Actinonin
AlkaPlorer ID: AK283213
Synonym: None
IUPAC Name: N'-hydroxy-N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
Structure
SMILES: CCCCCC(CC(=O)NO)C(=O)NC(C(=O)N1CCCC1CO)C(C)C
InChI: InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)
InChIKey: XJLATMLVMSFZBN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 385.5050000000002
TPSA？: 118.97
MolLogP？: 1.2025000000000012
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli (strain K12) | Exodeoxyribonuclease V | IC50 | 39493.0 | nM | None |
| Homo sapiens | ADAM17 | IC50 | 3592.0 | nM | None |
| Homo sapiens | Geminin | Potency | 920.0 | nM | None |
| Homo sapiens | Geminin | Potency | 28183.8 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 25118.9 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 25929.0 | nM | None |
| Homo sapiens | Paired box protein Pax-8 | AC50 | 5270.0 | nM | None |
| Homo sapiens | Parathyroid hormone receptor | Potency | 4466.8 | nM | None |
| Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Potency | 50118.7 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1835.6 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 2592.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 2936.2 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 3294.4 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 891.3 | nM | None |
| None | Unchecked | EC50 | 36190.0 | nM | None |
| None | Unchecked | EC50 | 50000.0 | nM | None |
| None | Unchecked | IC50 | 12670.0 | nM | None |
| None | Unchecked | IC50 | 13671.0 | nM | None |
| None | Unchecked | IC50 | 15450.0 | nM | None |
| None | Unchecked | IC50 | 20280.0 | nM | None |
| None | Unchecked | IC50 | 33340.0 | nM | None |
| None | Unchecked | IC50 | 69499.0 | nM | None |
| None | Unchecked | IC50 | 77581.0 | nM | None |
| None | Unchecked | IC50 | 77789.0 | nM | None |
| None | Unchecked | IC50 | 143500.0 | nM | None |
| None | Unchecked | Potency | 562.3 | nM | None |