Navigation

name Structure Reference Source Properties Activities Metabolism

Kurahyne

AlkaPlorer ID: AK044829

Synonym: None

IUPAC Name: (E)-N,2-dimethyl-N-[(2S,3S)-3-methyl-1-[methyl-[(2S,3S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(2S)-2-propanoylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]oct-2-en-7-ynamide

Structure

SMILES: C#CCCC/C=C(\C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC

copy

InChI: InChI=1S/C47H78N6O7/c1-16-20-21-22-25-34(11)42(55)50(14)40(32(9)17-2)46(59)51(15)41(33(10)18-3)45(58)48(12)38(30(5)6)44(57)49(13)39(31(7)8)47(60)53-29-24-27-36(53)43(56)52-28-23-26-35(52)37(54)19-4/h1,25,30-33,35-36,38-41H,17-24,26-29H2,2-15H3/b34-25+/t32-,33-,35-,36-,38-,39-,40-,41-/m0/s1

copy

InChIKey: LXNZOJGPYBTQHD-BTEYVOOESA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Lyngbya Oscillatoriaceae Oscillatoriales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 839.1759999999996

TPSA？: 138.93

MolLogP？: 5.40950000000001

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 GI50 7240.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens ACHN GI50 13500.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens DU-145 GI50 13800.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens HCC 2998 GI50 14800.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens HCT-116 GI50 5130.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens HCT-15 GI50 11500.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens HeLa Activity nan None 10.1016/j.bmcl.2015.09.044
Homo sapiens HeLa IC50 3900.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens HeLa IC50 3900.0 nM 10.1021/acs.jmedchem.9b01617
Homo sapiens HeLa S3 Activity nan None 10.1016/j.bmcl.2015.09.044
Homo sapiens HL-60 IC50 1500.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens HL-60 IC50 1500.0 nM 10.1021/acs.jmedchem.9b01617
Homo sapiens HT-29 GI50 4470.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens KM12 GI50 12900.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens LOX IMVI GI50 3890.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens MCF7 GI50 3980.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens MDA-MB-231 GI50 4170.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens NCI-H226 GI50 7240.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens NCI-H23 GI50 13800.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens NCI-H460 GI50 9550.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens NCI-H522 GI50 2400.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens OVCAR-3 GI50 6610.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens OVCAR-4 GI50 11000.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens OVCAR-5 GI50 11200.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens OVCAR-8 GI50 14500.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens PC-3 GI50 4470.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens SF-268 GI50 5620.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens SF-295 GI50 10700.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens SF-539 GI50 10000.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens SK-OV-3 GI50 11200.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens SNB-75 GI50 14500.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens St-4 GI50 13200.0 nM 10.1016/j.bmcl.2015.09.044
Homo sapiens U-251 GI50 8320.0 nM 10.1016/j.bmcl.2015.09.044
Mus musculus Tumor necrosis factor ligand superfamily member 11 IC50 780.0 nM 10.1016/j.bmcl.2015.09.044
Oryctolagus cuniculus Sarcoplasmic/endoplasmic reticulum calcium ATP-ase Inhibition nan % 10.1016/j.bmcl.2015.09.044
None ADMET IC50 1960.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 3090.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 3720.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 4900.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 5500.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 5890.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 7410.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 7940.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 10500.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 12300.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 12900.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 15100.0 nM 10.1016/j.bmcl.2015.09.044
None NON-PROTEIN TARGET GI50 16600.0 nM 10.1016/j.bmcl.2015.09.044

Metabolism Information