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name Structure Reference Source Properties Activities Metabolism

Cephalostatin 1

AlkaPlorer ID: AK005446

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@H]1[C@H]2CC=C3[C@]2(CO[C@]14[C@@H](CC(O4)(C)C)O)C(=O)C[C@H]5[C@H]3CC[C@@H]6[C@@]5(CC7=NC8=C(C[C@]9([C@H](C8)CC[C@@H]1[C@@H]9C[C@H]([C@]2(C1=C[C@H]1[C@@]2([C@@H]([C@@]2(O1)[C@@H](C[C@@](O2)(C)CO)O)C)O)C)O)C)N=C7C6)C

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InChI: InChI=1S/C54H74N2O10/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-63-53(26)43(60)22-46(3,4)65-53)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,62)27(2)54(64-45)44(61)23-47(5,24-57)66-54/h14,19,26-32,34-35,41,43-45,57-58,60-62H,9-13,15-18,20-25H2,1-8H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,41+,43+,44+,45-,47-,48-,49-,50+,51+,52+,53+,54-/m0/s1

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InChIKey: HHBSFXFIMWLBAI-QEEYNDHBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 911.1900000000002

TPSA？: 180.92000000000002

MolLogP？: 5.504500000000009

Number of H-Donors: 5

Number of H-Acceptors: 12

RingCount: 13

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A498 ED50 5e-06 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens A498 ED50 1.7 uM 10.1016/s0960-894x(98)00743-4
Homo sapiens A498 GI50 0.1 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens A498 GI50 0.537 nM 10.1021/np50103a007
Homo sapiens A549 ED50 1.5e-06 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens A549 ED50 2.0 uM 10.1016/s0960-894x(98)00743-4
Homo sapiens A549 GI50 0.4 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens A549 GI50 0.5129 nM 10.1021/np070534e
Homo sapiens A549 GI50 1.096 nM 10.1021/np50103a007
Homo sapiens ACHN GI50 3.311 nM 10.1021/np50103a007
Homo sapiens ACHN GI50 8.128 nM 10.1021/np070534e
Homo sapiens BT-549 GI50 0.7586 nM 10.1021/np070534e
Homo sapiens CAKI-1 GI50 0.7244 nM 10.1021/np50103a007
Homo sapiens CAKI-1 GI50 1.549 nM 10.1021/np070534e
Homo sapiens CCRF-CEM GI50 0.2512 nM 10.1021/np50103a007
Homo sapiens CCRF-CEM GI50 0.309 nM 10.1021/np070534e
Homo sapiens COLO 205 GI50 1.549 nM 10.1021/np070534e
Homo sapiens COLO 205 GI50 1.698 nM 10.1021/np50103a007
Homo sapiens DLD-1 GI50 8.511 nM 10.1021/np50103a007
Homo sapiens DLD-1 GI50 41.69 nM 10.1021/np070534e
Homo sapiens DMS-114 GI50 0.6607 nM 10.1021/np50103a007
Homo sapiens DMS-273 GI50 0.05248 nM 10.1021/np50103a007
Homo sapiens DMS-273 GI50 0.1096 nM 10.1021/np070534e
Homo sapiens DU-145 GI50 0.11 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens DU-145 GI50 53.7 nM 10.1021/np070534e
Homo sapiens EKVX GI50 5.37 nM 10.1021/np070534e
Homo sapiens EKVX GI50 43.65 nM 10.1021/np50103a007
Homo sapiens HCC 2998 GI50 60.26 nM 10.1021/np50103a007
Homo sapiens HCT-116 GI50 0.5248 nM 10.1021/np50103a007
Homo sapiens HCT-116 GI50 0.6918 nM 10.1021/np070534e
Homo sapiens HCT-15 GI50 3.388 nM 10.1021/np50103a007
Homo sapiens HCT-15 GI50 4.074 nM 10.1021/np070534e
Homo sapiens HL-60 GI50 0.2 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens HL-60(TB) GI50 0.1514 nM 10.1021/np50103a007
Homo sapiens Homo sapiens ED50 2.4e-05 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens Homo sapiens ED50 0.00028 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens HOP-18 GI50 0.8318 nM 10.1021/np50103a007
Homo sapiens HOP-18 GI50 72.44 nM 10.1021/np070534e
Homo sapiens HOP-62 GI50 0.2089 nM 10.1021/np50103a007
Homo sapiens HOP-62 GI50 0.2399 nM 10.1021/np070534e
Homo sapiens HOP-92 GI50 0.6607 nM 10.1021/np070534e
Homo sapiens HOP-92 GI50 0.7244 nM 10.1021/np50103a007
Homo sapiens Hs-578T GI50 0.1122 nM 10.1021/np070534e
Homo sapiens HT-29 ED50 0.00021 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens HT-29 ED50 7.6 uM 10.1016/s0960-894x(98)00743-4
Homo sapiens HT-29 GI50 1.995 nM 10.1021/np50103a007
Homo sapiens HT-29 GI50 2.818 nM 10.1021/np070534e
Homo sapiens HT-29 GI50 6.3 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens IGROV-1 GI50 2.188 nM 10.1021/np50103a007
Homo sapiens IGROV-1 GI50 3.981 nM 10.1021/np070534e
Homo sapiens IGROV-1 GI50 10.0 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens K562 GI50 0.4266 nM 10.1021/np50103a007
Homo sapiens K562 GI50 0.6166 nM 10.1021/np070534e
Homo sapiens KM12 GI50 1.862 nM 10.1021/np070534e
Homo sapiens KM12 GI50 3.236 nM 10.1021/np50103a007
Homo sapiens KM-20L2 GI50 1.202 nM 10.1021/np070534e
Homo sapiens KM-20L2 GI50 1.995 nM 10.1021/np50103a007
Homo sapiens LOX IMVI GI50 0.2399 nM 10.1021/np50103a007
Homo sapiens LOX IMVI GI50 0.3236 nM 10.1021/np070534e
Homo sapiens LOX IMVI GI50 0.4 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens M14 GI50 0.4898 nM 10.1021/np50103a007
Homo sapiens M14 GI50 0.955 nM 10.1021/np070534e
Homo sapiens M19-MEL GI50 47.86 nM 10.1021/np50103a007
Homo sapiens M19-MEL GI50 616.6 nM 10.1021/np070534e
Homo sapiens Malme-3M GI50 5.248 nM 10.1021/np50103a007
Homo sapiens Malme-3M GI50 8.128 nM 10.1021/np070534e
Homo sapiens MCF7 ED50 2.6 uM 10.1016/s0960-894x(98)00743-4
Homo sapiens MCF7 GI50 0.099 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens MCF7 GI50 0.3548 nM 10.1021/np070534e
Homo sapiens MCF7 GI50 2.5 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens MCF7R ED50 nan None 10.1016/s0960-894x(98)00743-4
Homo sapiens MDA-MB-231 GI50 1.202 nM 10.1021/np070534e
Homo sapiens MDA-MB-435 GI50 0.8128 nM 10.1021/np070534e
Homo sapiens MDA-N GI50 1.862 nM 10.1021/np070534e
Homo sapiens MIA PaCa-2 ED50 4.0 uM 10.1016/s0960-894x(98)00743-4
Homo sapiens MOLT-4 GI50 0.1995 nM 10.1021/np50103a007
Homo sapiens MOLT-4 GI50 0.2042 nM 10.1021/np070534e
Homo sapiens NCI/ADR-RES ED50 4.1 uM 10.1016/s0960-894x(98)00743-4
Homo sapiens NCI/ADR-RES GI50 69.18 nM 10.1021/np070534e
Homo sapiens NCI-H226 GI50 3.236 nM 10.1021/np50103a007
Homo sapiens NCI-H226 GI50 275.42 nM 10.1021/np070534e
Homo sapiens NCI-H23 GI50 0.3388 nM 10.1021/np50103a007
Homo sapiens NCI-H23 GI50 549.54 nM 10.1021/np070534e
Homo sapiens NCI-H322M GI50 33.11 nM 10.1021/np50103a007
Homo sapiens NCI-H322M GI50 91.2 nM 10.1021/np070534e
Homo sapiens NCI-H460 GI50 0.044 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens NCI-H460 GI50 0.2692 nM 10.1021/np070534e
Homo sapiens NCI-H460 GI50 0.309 nM 10.1021/np50103a007
Homo sapiens NCI-H522 GI50 2.399 nM 10.1021/np50103a007
Homo sapiens NCI-H522 GI50 120.23 nM 10.1021/np070534e
Homo sapiens OVCAR-3 GI50 30.9 nM 10.1021/np50103a007
Homo sapiens OVCAR-3 GI50 70.79 nM 10.1021/np070534e
Homo sapiens OVCAR-4 GI50 14.13 nM 10.1021/np50103a007
Homo sapiens OVCAR-4 GI50 38.9 nM 10.1021/np070534e
Homo sapiens OVCAR-5 GI50 10.0 nM 10.1021/np50103a007
Homo sapiens OVCAR-5 GI50 13.18 nM 10.1021/np070534e
Homo sapiens OVCAR-8 GI50 2.399 nM 10.1021/np50103a007
Homo sapiens OVCAR-8 GI50 60.26 nM 10.1021/np070534e
Homo sapiens Panel (Carcinoma cell lines) GI50 1.0 nM 10.1016/S0960-894X(01)80522-9
Homo sapiens Panel NCI-60 (60 carcinoma cell lines) GI50 1.2 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens PC-3 ED50 2.3e-05 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens PC-3 ED50 1.4 uM 10.1016/s0960-894x(98)00743-4
Homo sapiens PC-3 GI50 0.1 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens PC-3 GI50 0.2884 nM 10.1021/np070534e
Homo sapiens RPMI-8226 GI50 0.05129 nM 10.1021/np50103a007
Homo sapiens RPMI-8226 GI50 0.1072 nM 10.1021/np070534e
Homo sapiens RXF 393 GI50 0.02512 nM 10.1021/np50103a007
Homo sapiens RXF 393 GI50 0.1 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens RXF 393 GI50 0.1 nM 10.1021/np070534e
Homo sapiens SF-268 GI50 1.096 nM 10.1021/np070534e
Homo sapiens SF-268 GI50 1.6 nM 10.1021/acs.jnatprod.5b00129
Homo sapiens SF-268 GI50 2.188 nM 10.1021/np50103a007
Homo sapiens SF-295 GI50 0.04365 nM 10.1021/np50103a007
Homo sapiens SF-295 GI50 0.1 nM 10.1016/s0960-894x(99)00430-8
Homo sapiens SF-295 GI50 0.123 nM 10.1021/np070534e
Homo sapiens SF-539 GI50 0.08128 nM 10.1021/np50103a007
Homo sapiens SF-539 GI50 0.1514 nM 10.1021/np070534e
Homo sapiens SK-MEL-2 GI50 0.7413 nM 10.1021/np50103a007
Homo sapiens SK-MEL-2 GI50 1.096 nM 10.1021/np070534e
Homo sapiens SK-MEL-28 GI50 0.6166 nM 10.1021/np070534e
Homo sapiens SK-MEL-28 GI50 0.955 nM 10.1021/np50103a007
Homo sapiens SK-MEL-5 GI50 2.344 nM 10.1021/np070534e
Homo sapiens SK-MEL-5 GI50 3.467 nM 10.1021/np50103a007
Homo sapiens SK-OV-3 GI50 1.023 nM 10.1021/np070534e
Homo sapiens SK-OV-3 GI50 7.079 nM 10.1021/np50103a007
Homo sapiens SN12C GI50 21.88 nM 10.1021/np50103a007
Homo sapiens SN12C GI50 295.12 nM 10.1021/np070534e
Homo sapiens SNB-19 GI50 1.698 nM 10.1021/np50103a007
Homo sapiens SNB-19 GI50 4.571 nM 10.1021/np070534e
Homo sapiens SNB-75 GI50 0.08128 nM 10.1021/np50103a007
Homo sapiens SNB-75 GI50 0.1 nM 10.1021/np070534e
Homo sapiens SNB-78 GI50 0.7762 nM 10.1021/np070534e
Homo sapiens SNB-78 GI50 0.7943 nM 10.1021/np50103a007
Homo sapiens SR GI50 0.2089 nM 10.1021/np070534e
Homo sapiens SR GI50 0.2884 nM 10.1021/np50103a007
Homo sapiens SW-620 GI50 0.302 nM 10.1021/np50103a007
Homo sapiens SW-620 GI50 0.9772 nM 10.1021/np070534e
Homo sapiens T47D GI50 245.47 nM 10.1021/np070534e
Homo sapiens TK-10 GI50 93.33 nM 10.1021/np50103a007
Homo sapiens Tumor Cell line GI50 1.0 nM 10.1016/0960-894X(95)00346-U
Homo sapiens U-251 GI50 0.06457 nM 10.1021/np50103a007
Homo sapiens U-251 GI50 0.182 nM 10.1021/np070534e
Homo sapiens UACC-257 GI50 3.715 nM 10.1021/np50103a007
Homo sapiens UACC-257 GI50 4.266 nM 10.1021/np070534e
Homo sapiens UACC-62 GI50 0.3162 nM 10.1021/np070534e
Homo sapiens UACC-62 GI50 0.389 nM 10.1021/np50103a007
Homo sapiens UO-31 GI50 0.6166 nM 10.1021/np070534e
Homo sapiens UO-31 GI50 4.169 nM 10.1021/np50103a007
Homo sapiens XF498 GI50 0.5888 nM 10.1021/np50103a007
Homo sapiens XF498 GI50 0.7244 nM 10.1021/np070534e
Mus musculus P388 ED50 1e-07 ug ml-1 10.1021/np501033u
Mus musculus P388 ED50 0.0001 nM 10.1016/s0960-894x(99)00430-8
Mus musculus P388 ED50 0.0001 nM 10.1021/np070536z
Mus musculus P388 ED50 1.0 10'-9 ug/ml 10.1021/np9604386
Mus musculus P388 ED50 1.0 nM 10.1021/np300069z
None NCI GI50 0.8 nM 10.1016/s0960-894x(99)00430-8
None NON-PROTEIN TARGET ED50 1.7e-05 nM 10.1016/s0960-894x(99)00430-8
None NON-PROTEIN TARGET GI50 0.044 nM 10.1021/acs.jnatprod.5b00129
None NON-PROTEIN TARGET GI50 0.066 nM 10.1021/acs.jnatprod.5b00129
None NON-PROTEIN TARGET GI50 0.07762 nM 10.1021/np50103a007
None NON-PROTEIN TARGET GI50 0.166 nM 10.1021/np070534e
None NON-PROTEIN TARGET GI50 0.1698 nM 10.1021/np070534e
None NON-PROTEIN TARGET GI50 0.309 nM 10.1021/np070534e
None NON-PROTEIN TARGET GI50 0.3311 nM 10.1021/np070534e
None NON-PROTEIN TARGET GI50 0.3548 nM 10.1021/np070534e
None NON-PROTEIN TARGET GI50 0.3631 nM 10.1021/np50103a007
None NON-PROTEIN TARGET GI50 1.413 nM 10.1021/np070534e
None NON-PROTEIN TARGET GI50 1.8 nM 10.1021/np501033u
None NON-PROTEIN TARGET GI50 2.2 nM 10.1021/np9800405
None NON-PROTEIN TARGET GI50 33.88 nM 10.1021/np070534e
None NON-PROTEIN TARGET GI50 95.5 nM 10.1021/np070534e

Metabolism Information