reumycin
AlkaPlorer ID: AK033651
Synonym: 'reumycin', 'MLS001048964', 'reumicine', 'reumitsin', '1-demethyltoxoflavin', '6-methyl-8H-pyrimido5,4-e1,2,4triazine-5,7-dione', 'Reumycin', '6-Methyl-8H-pyrimido5,4-e1,2,4triazine-5,7-dione', 'rheumygin', '6-methyl-pyrimido-5,4-e-as-triazine-5,7(6H,8H)-dione', 'MLSMR', 'SMR000008544', 'rheumycin'
IUPAC Name: 6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Structure
SMILES: CN1C(=O)NC2=NN=CN=C2C1=O
InChI: InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
InChIKey: ZLLAXLPOOMLVRF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hiroshimensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 179.13899999999998
TPSA？: 93.53
MolLogP？: -1.588200000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A498 | GI50 | 87096.36 | nM | None |
| Homo sapiens | A549 | GI50 | 79983.43 | nM | None |
| Homo sapiens | Apoptotic protease-activating factor 1 | IC50 | 15400.0 | nM | None |
| Homo sapiens | Apoptotic protease-activating factor 1 | IC50 | 100000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 11040.79 | nM | None |
| Homo sapiens | Caspase-6 | AC50 | 7060.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 173380.4 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 69183.1 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 383707.25 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 125892.54 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 21577.44 | nM | None |
| Homo sapiens | EKVX | GI50 | 40457.59 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 53951.06 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 29241.52 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 299226.46 | nM | None |
| Homo sapiens | HEK293 | Potency | 28183.8 | nM | None |
| Homo sapiens | HepG2 | Potency | 35481.3 | nM | None |
| Homo sapiens | HL-60 | GI50 | 27925.44 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 13520.73 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 34434.99 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 21281.39 | nM | None |
| Homo sapiens | HT-29 | GI50 | 114024.98 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 29241.52 | nM | None |
| Homo sapiens | K562 | GI50 | 211348.9 | nM | None |
| Homo sapiens | KM12 | GI50 | 23768.4 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 55207.74 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 360578.64 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 19952.6 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 43651.58 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 44668.36 | nM | None |
| Homo sapiens | MCF7 | GI50 | 211836.11 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 181134.01 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 216770.41 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 5834.45 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 179060.59 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 284446.11 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 29308.93 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 156675.11 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 78886.01 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 85506.67 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 185780.45 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 19815.27 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 77446.18 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 19275.25 | nM | None |
| Homo sapiens | Sentrin-specific protease 8 | IC50 | 1620.0 | nM | None |
| Homo sapiens | Sentrin-specific protease 8 | IC50 | 2080.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 133045.44 | nM | None |
| Homo sapiens | SF-295 | GI50 | 102565.19 | nM | None |
| Homo sapiens | SF-539 | GI50 | 64863.44 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 119674.05 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 474241.99 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 92469.82 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 145881.43 | nM | None |
| Homo sapiens | SN12C | GI50 | 147910.84 | nM | None |
| Homo sapiens | SN12K1 | GI50 | 65765.78 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 51168.18 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 20989.4 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 150660.71 | nM | None |
| Homo sapiens | SW-620 | GI50 | 74989.42 | nM | None |
| Homo sapiens | U-251 | GI50 | 28707.81 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 75335.56 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 44360.86 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 14125.4 | nM | None |
| Homo sapiens | UO-31 | GI50 | 46025.66 | nM | None |
| Homo sapiens | XF498 | GI50 | 54200.09 | nM | None |
| Mus musculus | P388 | GI50 | 25763.21 | nM | None |
| Mus musculus | P388/ADR | GI50 | 213304.49 | nM | None |
| None | Unchecked | EC50 | 3400.0 | nM | None |
| None | Unchecked | IC50 | 11400.0 | nM | None |
| None | Unchecked | Potency | 22387.2 | nM | None |