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name Structure Reference Source Properties Activities Metabolism

(7R,8S,19S)-8-{[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one

AlkaPlorer ID: AK377040

Synonym: None

IUPAC Name: (3E,5E,10E,13E,15E)-8-[4-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one

Structure

SMILES: CNC1C(O)CC(OC2C/C=C(\C)C/C(C)=C/C=C/CCC(C)CN=C(O)/C=C/C=C/C2C)OC1C

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InChI: InChI=1S/C30H48N2O4/c1-21-12-8-7-9-13-23(3)20-32-28(34)15-11-10-14-24(4)27(17-16-22(2)18-21)36-29-19-26(33)30(31-6)25(5)35-29/h7-8,10-12,14-16,23-27,29-31,33H,9,13,17-20H2,1-6H3,(H,32,34)/b8-7+,14-10+,15-11+,21-12+,22-16+

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InChIKey: FINGADBUNZWVLV-WRGVACNMSA-N

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Properties Information

Molecule Weight: 500.7240000000003

TPSA？: 83.31

MolLogP？: 5.8193000000000055

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 245.47 nM None
Homo sapiens A498 GI50 1717.91 nM None
Homo sapiens A549 GI50 503.5 nM None
Homo sapiens ACHN GI50 1499.68 nM None
Homo sapiens BT-549 GI50 1247.38 nM None
Homo sapiens CAKI-1 GI50 877.0 nM None
Homo sapiens CCRF-CEM GI50 153.11 nM None
Homo sapiens COLO 205 GI50 201.84 nM None
Homo sapiens DLD-1 GI50 260.02 nM None
Homo sapiens DMS-114 GI50 463.45 nM None
Homo sapiens DMS-273 GI50 187.93 nM None
Homo sapiens DU-145 GI50 719.45 nM None
Homo sapiens EKVX GI50 1599.56 nM None
Homo sapiens HCC 2998 GI50 286.42 nM None
Homo sapiens HCT-116 GI50 277.97 nM None
Homo sapiens HCT-15 GI50 201.84 nM None
Homo sapiens HL-60 GI50 152.76 nM None
Homo sapiens HOP-18 GI50 1774.19 nM None
Homo sapiens HOP-62 GI50 1032.76 nM None
Homo sapiens HOP-92 GI50 450.82 nM None
Homo sapiens Hs-578T GI50 502.34 nM None
Homo sapiens HT-29 GI50 223.87 nM None
Homo sapiens IGROV-1 GI50 1288.25 nM None
Homo sapiens K562 GI50 99.54 nM None
Homo sapiens KM12 GI50 431.52 nM None
Homo sapiens KM-20L2 GI50 629.51 nM None
Homo sapiens LOX IMVI GI50 103.04 nM None
Homo sapiens LXFL 529 GI50 140.28 nM None
Homo sapiens M14 GI50 240.44 nM None
Homo sapiens M19-MEL GI50 714.5 nM None
Homo sapiens Malme-3M GI50 1472.31 nM None
Homo sapiens MCF7 GI50 781.63 nM None
Homo sapiens MDA-MB-231 GI50 841.4 nM None
Homo sapiens MDA-MB-435 GI50 376.7 nM None
Homo sapiens MDA-N GI50 339.63 nM None
Homo sapiens MOLT-4 GI50 160.69 nM None
Homo sapiens NCI/ADR-RES GI50 717.79 nM None
Homo sapiens NCI-H226 GI50 2773.32 nM None
Homo sapiens NCI-H23 GI50 862.98 nM None
Homo sapiens NCI-H322M GI50 801.68 nM None
Homo sapiens NCI-H460 GI50 172.58 nM None
Homo sapiens NCI-H522 GI50 972.75 nM None
Homo sapiens OVCAR-3 GI50 986.28 nM None
Homo sapiens OVCAR-4 GI50 302.69 nM None
Homo sapiens OVCAR-5 GI50 1177.61 nM None
Homo sapiens OVCAR-8 GI50 323.59 nM None
Homo sapiens PC-3 GI50 1061.7 nM None
Homo sapiens RPMI-8226 GI50 219.79 nM None
Homo sapiens RXF 393 GI50 1081.43 nM None
Homo sapiens RXF 631 GI50 205.59 nM None
Homo sapiens SF-268 GI50 746.45 nM None
Homo sapiens SF-295 GI50 250.03 nM None
Homo sapiens SF-539 GI50 918.33 nM None
Homo sapiens SK-MEL-2 GI50 1188.5 nM None
Homo sapiens SK-MEL-28 GI50 666.81 nM None
Homo sapiens SK-MEL-5 GI50 810.96 nM None
Homo sapiens SK-OV-3 GI50 1145.51 nM None
Homo sapiens SN12C GI50 820.35 nM None
Homo sapiens SNB-19 GI50 2844.46 nM None
Homo sapiens SNB-75 GI50 711.21 nM None
Homo sapiens SNB-78 GI50 1659.59 nM None
Homo sapiens SR GI50 239.88 nM None
Homo sapiens SW-620 GI50 120.23 nM None
Homo sapiens T47D GI50 783.43 nM None
Homo sapiens TK-10 GI50 1104.08 nM None
Homo sapiens U-251 GI50 521.19 nM None
Homo sapiens UACC-257 GI50 666.81 nM None
Homo sapiens UACC-62 GI50 439.54 nM None
Homo sapiens UO-31 GI50 2851.02 nM None
Homo sapiens XF498 GI50 1682.67 nM None

Metabolism Information