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MA 144-A1

AlkaPlorer ID: AK011035

Synonym: 'Aclacinomycin A1', 'Jaclacin', 'ACLACINOMYCIN A', 'Antibiotic 3082A', 'Aclarubicin', 'Aclacinomycin A', 'Aclacur', 'Antibiotic MA 144A1', 'NSC 208734', 'Aclacinomycin', 'aclacinomycin', 'Aclucinomycin A', 'Antibiotic 77-3082A', 'Antibiotic MA144-A1'

IUPAC Name: methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Structure

SMILES: CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=CC=CC(O)=C1C3=O

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InChI: InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18?,19?,20?,24?,27?,28-,29?,30?,31?,35-,39?,40?,42+/m0/s1

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InChIKey: USZYSDMBJDPRIF-XCKHQVGJSA-N

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Properties Information

Molecule Weight: 811.8780000000002

TPSA？: 217.05

MolLogP？: 3.1577000000000024

Number of H-Donors: 4

Number of H-Acceptors: 16

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 2.393 nM None
Homo sapiens A498 GI50 25.0 nM None
Homo sapiens A549 GI50 22.49 nM None
Homo sapiens ACHN GI50 1.086 nM None
Homo sapiens BT-549 GI50 22.49 nM None
Homo sapiens CAKI-1 GI50 23.23 nM None
Homo sapiens CCRF-CEM GI50 22.91 nM None
Homo sapiens COLO 205 GI50 22.49 nM None
Homo sapiens DLD-1 GI50 23.82 nM None
Homo sapiens DMS-114 GI50 29.99 nM None
Homo sapiens DMS-273 GI50 22.49 nM None
Homo sapiens DU-145 GI50 7.295 nM None
Homo sapiens EKVX GI50 41.5 nM None
Homo sapiens HCC 2998 GI50 7.727 nM None
Homo sapiens HCT-116 GI50 22.49 nM None
Homo sapiens HCT-15 GI50 24.77 nM None
Homo sapiens HL-60 GI50 23.07 nM None
Homo sapiens HOP-18 GI50 45.81 nM None
Homo sapiens HOP-62 GI50 31.77 nM None
Homo sapiens HOP-92 GI50 34.43 nM None
Homo sapiens Hs-578T GI50 6.18 nM None
Homo sapiens HT-29 GI50 22.7 nM None
Homo sapiens IGROV-1 GI50 22.49 nM None
Homo sapiens K562 GI50 22.49 nM None
Homo sapiens KM12 GI50 24.21 nM None
Homo sapiens KM-20L2 GI50 24.72 nM None
Homo sapiens LOX IMVI GI50 22.49 nM None
Homo sapiens LXFL 529 GI50 7.762 nM None
Homo sapiens M14 GI50 14.19 nM None
Homo sapiens M19-MEL GI50 28.31 nM None
Homo sapiens Malme-3M GI50 24.55 nM None
Homo sapiens MCF7 GI50 22.49 nM None
Homo sapiens MDA-MB-231 GI50 23.77 nM None
Homo sapiens MDA-MB-435 GI50 22.49 nM None
Homo sapiens MDA-N GI50 1.841 nM None
Homo sapiens MOLT-4 GI50 23.33 nM None
Homo sapiens NCI/ADR-RES GI50 36.64 nM None
Homo sapiens NCI-H226 GI50 29.24 nM None
Homo sapiens NCI-H23 GI50 22.8 nM None
Homo sapiens NCI-H322M GI50 22.49 nM None
Homo sapiens NCI-H460 GI50 26.24 nM None
Homo sapiens NCI-H522 GI50 22.49 nM None
Homo sapiens OVCAR-3 GI50 24.6 nM None
Homo sapiens OVCAR-4 GI50 27.99 nM None
Homo sapiens OVCAR-5 GI50 31.92 nM None
Homo sapiens OVCAR-8 GI50 26.85 nM None
Homo sapiens PC-3 GI50 3.793 nM None
Homo sapiens RPMI-8226 GI50 24.27 nM None
Homo sapiens RXF 393 GI50 45.71 nM None
Homo sapiens RXF 631 GI50 7.112 nM None
Homo sapiens SF-268 GI50 63.68 nM None
Homo sapiens SF-295 GI50 28.51 nM None
Homo sapiens SF-539 GI50 25.53 nM None
Homo sapiens SK-MEL-2 GI50 5.741 nM None
Homo sapiens SK-MEL-28 GI50 44.26 nM None
Homo sapiens SK-MEL-5 GI50 28.18 nM None
Homo sapiens SK-OV-3 GI50 44.16 nM None
Homo sapiens SN12C GI50 22.49 nM None
Homo sapiens SN12K1 GI50 23.6 nM None
Homo sapiens SNB-19 GI50 31.41 nM None
Homo sapiens SNB-75 GI50 28.44 nM None
Homo sapiens SNB-78 GI50 35.89 nM None
Homo sapiens SR GI50 1.754 nM None
Homo sapiens SW-620 GI50 22.49 nM None
Homo sapiens T47D GI50 6.339 nM None
Homo sapiens TK-10 GI50 10.5 nM None
Homo sapiens U-251 GI50 24.66 nM None
Homo sapiens UACC-257 GI50 24.04 nM None
Homo sapiens UACC-62 GI50 22.91 nM None
Homo sapiens UO-31 GI50 22.49 nM None
Homo sapiens XF498 GI50 23.5 nM None
Mus musculus P388 GI50 22.49 nM None
Mus musculus P388/ADR GI50 33.34 nM None

Metabolism Information