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Isobromodeoxytopsentin

AlkaPlorer ID: AK017048

Synonym: None

IUPAC Name: (6-bromo-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone

Structure

SMILES: O=C(C1=NC(C2=CNC3=CC=CC=C23)=CN1)C1=CNC2=CC(Br)=CC=C12

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InChI: InChI=1S/C20H13BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19(26)20-24-10-18(25-20)14-8-22-16-4-2-1-3-12(14)16/h1-10,22-23H,(H,24,25)

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InChIKey: BEDNSRVQPOJNPU-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Spongosorites genitrix Spongosorites Halichondriidae Suberitida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 405.2550000000001

TPSA？: 77.33

MolLogP？: 5.032800000000002

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 11967.41 nM None
Homo sapiens A498 GI50 11066.24 nM None
Homo sapiens A549 ED50 12.3 ug ml-1 10.1021/np049577a
Homo sapiens A549 GI50 24945.95 nM None
Homo sapiens ACHN GI50 22803.42 nM None
Homo sapiens BT-549 GI50 14655.48 nM None
Homo sapiens CAKI-1 GI50 14092.89 nM None
Homo sapiens CCRF-CEM GI50 23496.33 nM None
Homo sapiens COLO 205 GI50 12560.3 nM None
Homo sapiens DU-145 GI50 23173.95 nM None
Homo sapiens EKVX GI50 13614.45 nM None
Homo sapiens HCC 2998 GI50 17498.47 nM None
Homo sapiens HCT-116 GI50 18620.87 nM None
Homo sapiens HCT-15 ED50 6.38 ug ml-1 10.1021/np049577a
Homo sapiens HCT-15 GI50 14621.77 nM None
Homo sapiens HL-60 GI50 15848.93 nM None
Homo sapiens HOP-62 GI50 20796.97 nM None
Homo sapiens HOP-92 GI50 43151.91 nM None
Homo sapiens Hs-578T GI50 30269.13 nM None
Homo sapiens HT-29 GI50 13489.63 nM None
Homo sapiens IGROV-1 GI50 20464.45 nM None
Homo sapiens K562 GI50 18620.87 nM None
Homo sapiens K562 IC50 2.1 ug.mL-1 10.1021/np049577a
Homo sapiens K562 LC50 2.1 ug.mL-1 10.1021/np980507b
Homo sapiens KM12 GI50 18407.72 nM None
Homo sapiens LOX IMVI GI50 16143.59 nM None
Homo sapiens M14 GI50 14859.36 nM None
Homo sapiens Malme-3M GI50 22961.49 nM None
Homo sapiens MCF7 GI50 17458.22 nM None
Homo sapiens MDA-MB-231 GI50 19453.6 nM None
Homo sapiens MDA-MB-435 GI50 9183.33 nM None
Homo sapiens MDA-N GI50 9594.01 nM None
Homo sapiens MOLT-4 GI50 15240.53 nM None
Homo sapiens NCI/ADR-RES GI50 13304.54 nM None
Homo sapiens NCI-H23 GI50 14190.58 nM None
Homo sapiens NCI-H460 GI50 14791.08 nM None
Homo sapiens NCI-H522 GI50 17741.89 nM None
Homo sapiens OVCAR-3 GI50 15703.63 nM None
Homo sapiens OVCAR-5 GI50 22961.49 nM None
Homo sapiens OVCAR-8 GI50 23014.42 nM None
Homo sapiens PC-3 GI50 13031.67 nM None
Homo sapiens RPMI-8226 GI50 16710.91 nM None
Homo sapiens SF-268 GI50 34434.99 nM None
Homo sapiens SF-295 GI50 11721.95 nM None
Homo sapiens SF-539 GI50 12618.28 nM None
Homo sapiens SK-MEL-2 ED50 4.54 ug ml-1 10.1021/np049577a
Homo sapiens SK-MEL-2 GI50 10351.42 nM None
Homo sapiens SK-MEL-28 GI50 19633.6 nM None
Homo sapiens SK-MEL-5 GI50 12705.74 nM None
Homo sapiens SK-OV-3 ED50 8.7 ug ml-1 10.1021/np049577a
Homo sapiens SK-OV-3 GI50 12912.19 nM None
Homo sapiens SNB-19 GI50 27039.58 nM None
Homo sapiens SR GI50 11066.24 nM None
Homo sapiens SW-620 GI50 24043.63 nM None
Homo sapiens TK-10 GI50 26791.68 nM None
Homo sapiens U-251 GI50 12387.97 nM None
Homo sapiens UACC-257 GI50 11402.5 nM None
Homo sapiens UACC-62 GI50 10423.17 nM None
Homo sapiens UO-31 GI50 16481.62 nM None
Homo sapiens XF498 ED50 5.51 ug ml-1 10.1021/np049577a

Metabolism Information