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name Structure Reference Source Properties Activities Metabolism

Thiolutin

AlkaPlorer ID: AK004453

Synonym: None

IUPAC Name: N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)acetamide

Structure

SMILES: CC(O)=NC1=C2SSC=C2N(C)C1=O

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InChI: InChI=1S/C8H8N2O2S2/c1-4(11)9-6-7-5(3-13-14-7)10(2)8(6)12/h3H,1-2H3,(H,9,11)

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InChIKey: MHMRAFONCSQAIA-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Coccidioides Onygenaceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 228.298

TPSA？: 54.59

MolLogP？: 2.221

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 17782.8 nM None
Homo sapiens 786-0 GI50 1517.05 nM None
Homo sapiens A498 GI50 1857.8 nM None
Homo sapiens A549 GI50 1548.82 nM None
Homo sapiens ACHN GI50 984.01 nM None
Homo sapiens BT-549 GI50 1432.19 nM None
Homo sapiens CAKI-1 GI50 1887.99 nM None
Homo sapiens CCRF-CEM GI50 281.84 nM None
Homo sapiens COLO 205 GI50 595.66 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 5.0 nM None
Homo sapiens DU-145 GI50 633.87 nM None
Homo sapiens EKVX GI50 1870.68 nM None
Homo sapiens HCC 2998 GI50 587.49 nM None
Homo sapiens HCT-116 GI50 695.02 nM None
Homo sapiens HCT-15 GI50 1324.34 nM None
Homo sapiens HL-60 GI50 511.68 nM None
Homo sapiens HOP-62 GI50 1674.94 nM None
Homo sapiens HOP-92 GI50 2233.57 nM None
Homo sapiens Hs-578T GI50 2600.16 nM None
Homo sapiens HT-29 GI50 272.27 nM None
Homo sapiens IGROV-1 GI50 1857.8 nM None
Homo sapiens K562 GI50 1524.05 nM None
Homo sapiens KM12 GI50 1324.34 nM None
Homo sapiens LOX IMVI GI50 1857.8 nM None
Homo sapiens M14 GI50 314.05 nM None
Homo sapiens Malme-3M GI50 787.05 nM None
Homo sapiens MCF7 GI50 629.51 nM None
Homo sapiens MDA-MB-231 GI50 1729.82 nM None
Homo sapiens MDA-MB-435 GI50 1011.58 nM None
Homo sapiens MDA-N GI50 1563.15 nM None
Homo sapiens Microtubule-associated protein tau Potency 15848.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 17782.8 nM None
Homo sapiens MOLT-4 GI50 151.71 nM None
Homo sapiens NCI/ADR-RES GI50 1164.13 nM None
Homo sapiens NCI-H226 GI50 1892.34 nM None
Homo sapiens NCI-H23 GI50 853.1 nM None
Homo sapiens NCI-H322M GI50 1552.39 nM None
Homo sapiens NCI-H460 GI50 537.03 nM None
Homo sapiens NCI-H522 GI50 1303.17 nM None
Homo sapiens OVCAR-3 GI50 1819.7 nM None
Homo sapiens OVCAR-4 GI50 1555.97 nM None
Homo sapiens OVCAR-5 GI50 1603.25 nM None
Homo sapiens OVCAR-8 GI50 638.26 nM None
Homo sapiens PC-3 GI50 1581.25 nM None
Homo sapiens RPMI-8226 GI50 575.44 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 17782.8 nM None
Homo sapiens RXF 393 GI50 1706.08 nM None
Homo sapiens SF-268 GI50 1559.55 nM None
Homo sapiens SF-295 GI50 1352.07 nM None
Homo sapiens SF-539 GI50 1862.09 nM None
Homo sapiens SK-MEL-2 GI50 1883.65 nM None
Homo sapiens SK-MEL-28 GI50 1370.88 nM None
Homo sapiens SK-MEL-5 GI50 1333.52 nM None
Homo sapiens SK-OV-3 GI50 1202.26 nM None
Homo sapiens SN12C GI50 1874.99 nM None
Homo sapiens SNB-19 GI50 1963.36 nM None
Homo sapiens SNB-75 GI50 1667.25 nM None
Homo sapiens SR GI50 234.96 nM None
Homo sapiens SW-620 GI50 663.74 nM None
Homo sapiens T47D GI50 1577.61 nM None
Homo sapiens TK-10 GI50 2147.83 nM None
Homo sapiens U-251 GI50 1116.86 nM None
Homo sapiens UACC-257 GI50 1573.98 nM None
Homo sapiens UACC-62 GI50 442.59 nM None
Homo sapiens UO-31 GI50 2103.78 nM None
Homo sapiens Vitamin D receptor Potency 39810.7 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 251.2 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 398.1 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 0.0 mm 10.1016/j.ejmech.2010.07.050
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 7.0 mm 10.1016/j.ejmech.2010.07.050
Staphylococcus epidermidis Staphylococcus epidermidis Activity nan None 10.1128/aac.00343-07
Staphylococcus epidermidis Staphylococcus epidermidis MBC 12.5 ug ml-1 10.1128/aac.00343-07
Staphylococcus epidermidis Staphylococcus epidermidis MIC 6.25 ug.mL-1 10.1128/aac.00343-07
Staphylococcus epidermidis Staphylococcus epidermidis Ratio 2.0 None 10.1128/aac.00343-07
None Unchecked Activity nan None 10.1016/j.ejmech.2010.07.050
None Unchecked IC50 100.0 ug.mL-1 10.1128/aac.00343-07
None Unchecked Potency 707.9 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 11220.2 nM None

Metabolism Information