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Ambewelamide A

AlkaPlorer ID: AK087637

Synonym: None

IUPAC Name: [(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-19-acetyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl] butanoate

Structure

SMILES: CCCC(=O)O[C@H]1C=C2C[C@@]34SS[C@]5(CC6=C[C@H](OC(C)=O)[C@@H]7O[C@@H]7[C@H]6N5C3=O)C(=O)N4[C@@H]2[C@H]2O[C@H]21

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InChI: InChI=1S/C24H24N2O8S2/c1-3-4-14(28)32-13-6-11-8-24-22(30)25-15-10(5-12(31-9(2)27)17-19(15)33-17)7-23(25,35-36-24)21(29)26(24)16(11)20-18(13)34-20/h5-6,12-13,15-20H,3-4,7-8H2,1-2H3/t12-,13-,15-,16-,17-,18-,19+,20+,23+,24+/m0/s1

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InChIKey: OBYDDBDJKUQGLS-BIQXIOCUSA-N

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Properties Information

Molecule Weight: 532.5960000000002

TPSA？: 118.28

MolLogP？: 1.0477999999999994

Number of H-Donors: 0

Number of H-Acceptors: 10

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 5.0 nM None
Homo sapiens A498 GI50 27.86 nM None
Homo sapiens A549 GI50 31.05 nM None
Homo sapiens ACHN GI50 18.58 nM None
Homo sapiens BT-549 GI50 20.99 nM None
Homo sapiens CAKI-1 GI50 17.5 nM None
Homo sapiens CCRF-CEM GI50 11.56 nM None
Homo sapiens COLO 205 GI50 13.65 nM None
Homo sapiens DU-145 GI50 35.56 nM None
Homo sapiens EKVX GI50 17.82 nM None
Homo sapiens HCC 2998 GI50 9.226 nM None
Homo sapiens HCT-116 GI50 8.472 nM None
Homo sapiens HCT-15 GI50 22.39 nM None
Homo sapiens HL-60 GI50 64.42 nM None
Homo sapiens HOP-62 GI50 10.02 nM None
Homo sapiens HOP-92 GI50 20.04 nM None
Homo sapiens Hs-578T GI50 20.32 nM None
Homo sapiens HT-29 GI50 5.689 nM None
Homo sapiens IGROV-1 GI50 16.79 nM None
Homo sapiens K562 GI50 9.226 nM None
Homo sapiens KM12 GI50 184.5 nM None
Homo sapiens LOX IMVI GI50 20.8 nM None
Homo sapiens M14 GI50 12.91 nM None
Homo sapiens Malme-3M GI50 20.0 nM None
Homo sapiens MCF7 GI50 13.21 nM None
Homo sapiens MDA-MB-231 GI50 25.35 nM None
Homo sapiens MDA-MB-435 GI50 12.68 nM None
Homo sapiens MDA-N GI50 8.166 nM None
Homo sapiens MOLT-4 GI50 9.036 nM None
Homo sapiens NCI/ADR-RES GI50 12.79 nM None
Homo sapiens NCI-H226 GI50 76.56 nM None
Homo sapiens NCI-H23 GI50 24.1 nM None
Homo sapiens NCI-H322M GI50 18.37 nM None
Homo sapiens NCI-H460 GI50 21.78 nM None
Homo sapiens NCI-H522 GI50 5.0 nM None
Homo sapiens OVCAR-3 GI50 7.379 nM None
Homo sapiens OVCAR-4 GI50 19.68 nM None
Homo sapiens OVCAR-5 GI50 11.25 nM None
Homo sapiens OVCAR-8 GI50 6.442 nM None
Homo sapiens PC-3 GI50 19.95 nM None
Homo sapiens RPMI-8226 GI50 5.236 nM None
Homo sapiens RXF 393 GI50 20.46 nM None
Homo sapiens SF-268 GI50 7.745 nM None
Homo sapiens SF-295 GI50 328.85 nM None
Homo sapiens SF-539 GI50 19.45 nM None
Homo sapiens SK-MEL-2 GI50 55.21 nM None
Homo sapiens SK-MEL-28 GI50 25.12 nM None
Homo sapiens SK-MEL-5 GI50 120.5 nM None
Homo sapiens SK-OV-3 GI50 56.89 nM None
Homo sapiens SN12C GI50 5.675 nM None
Homo sapiens SNB-19 GI50 12.56 nM None
Homo sapiens SNB-75 GI50 35.32 nM None
Homo sapiens SR GI50 5.0 nM None
Homo sapiens SW-620 GI50 5.483 nM None
Homo sapiens T47D GI50 25.59 nM None
Homo sapiens TK-10 GI50 34.67 nM None
Homo sapiens U-251 GI50 8.222 nM None
Homo sapiens UACC-257 GI50 18.11 nM None
Homo sapiens UACC-62 GI50 22.49 nM None
Homo sapiens UO-31 GI50 59.02 nM None

Metabolism Information