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Porfiromycin

AlkaPlorer ID: AK003807

Synonym: None

IUPAC Name: [(4S,6S,7R,8S)-11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Structure

SMILES: CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C

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InChI: InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)/t7-,8+,14+,16-,19?/m1/s1

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InChIKey: HRHKSTOGXBBQCB-VFWICMBZSA-N

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Properties Information

Molecule Weight: 348.3590000000001

TPSA？: 128.95000000000002

MolLogP？: -0.8949299999999976

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Giardia Giardia Potency 5790.7 nM None
Giardia Giardia Potency 10399.2 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 17740.7 nM None
Homo sapiens 786-0 GI50 8570.38 nM None
Homo sapiens A498 GI50 6309.57 nM None
Homo sapiens A549 GI50 488.65 nM None
Homo sapiens ACHN GI50 380.19 nM None
Homo sapiens Ataxin-2 Potency 50118.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 23099.9 nM None
Homo sapiens Breast cancer type 1 susceptibility protein Potency 35481.3 nM None
Homo sapiens BT-549 GI50 12161.86 nM None
Homo sapiens CAKI-1 GI50 948.42 nM None
Homo sapiens CCRF-CEM GI50 993.12 nM None
Homo sapiens COLO 205 GI50 2223.31 nM None
Homo sapiens DLD-1 GI50 9616.12 nM None
Homo sapiens DMS-114 GI50 1438.8 nM None
Homo sapiens DMS-273 GI50 400.87 nM None
Homo sapiens DNA polymerase eta Potency 50118.7 nM None
Homo sapiens DNA polymerase iota Potency 37685.8 nM None
Homo sapiens DNA polymerase iota Potency 56234.1 nM None
Homo sapiens DU-145 GI50 282.49 nM None
Homo sapiens EKVX GI50 12302.69 nM None
Homo sapiens Geminin Potency 2909.3 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 5011.9 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 3981.1 nM None
Homo sapiens HCC 2998 GI50 1949.84 nM None
Homo sapiens HCT-116 GI50 2218.2 nM None
Homo sapiens HCT-15 GI50 2570.4 nM None
Homo sapiens HEK293 AC50 4010.0 nM None
Homo sapiens HeLa IC50 ratio 9.5 None 10.1021/jm00016a005
Homo sapiens HepG2 Potency 11220.2 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 50118.7 nM None
Homo sapiens HL-60 GI50 340.41 nM None
Homo sapiens HOP-18 GI50 4753.35 nM None
Homo sapiens HOP-62 GI50 291.07 nM None
Homo sapiens HOP-92 GI50 5432.5 nM None
Homo sapiens Hs-578T GI50 16557.7 nM None
Homo sapiens HT-29 GI50 1422.33 nM None
Homo sapiens IGROV-1 GI50 5623.41 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 18356.4 nM None
Homo sapiens K562 GI50 7498.94 nM None
Homo sapiens KM12 GI50 6966.27 nM None
Homo sapiens KM-20L2 GI50 7979.95 nM None
Homo sapiens LOX IMVI GI50 794.33 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 50118.7 nM None
Homo sapiens M14 GI50 650.13 nM None
Homo sapiens M19-MEL GI50 2741.57 nM None
Homo sapiens Malme-3M GI50 4102.04 nM None
Homo sapiens MCF7 GI50 714.5 nM None
Homo sapiens MDA-MB-231 GI50 9727.47 nM None
Homo sapiens MDA-MB-435 GI50 12302.69 nM None
Homo sapiens MDA-N GI50 12531.41 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 7079.5 nM None
Homo sapiens Microtubule-associated protein tau Potency 1258.9 nM None
Homo sapiens MOLT-4 GI50 543.25 nM None
Homo sapiens Muscleblind-like protein 1 Potency 35481.3 nM None
Homo sapiens NCI/ADR-RES GI50 29444.22 nM None
Homo sapiens NCI-H226 GI50 8689.6 nM None
Homo sapiens NCI-H23 GI50 505.82 nM None
Homo sapiens NCI-H322M GI50 4405.55 nM None
Homo sapiens NCI-H460 GI50 127.64 nM None
Homo sapiens NCI-H522 GI50 4591.98 nM None
Homo sapiens OVCAR-3 GI50 6760.83 nM None
Homo sapiens OVCAR-4 GI50 9682.78 nM None
Homo sapiens OVCAR-5 GI50 10209.39 nM None
Homo sapiens OVCAR-8 GI50 3953.67 nM None
Homo sapiens PC-3 GI50 12647.36 nM None
Homo sapiens RPMI-8226 GI50 8413.95 nM None
Homo sapiens RXF 393 GI50 6309.57 nM None
Homo sapiens SF-268 GI50 3459.39 nM None
Homo sapiens SF-295 GI50 398.11 nM None
Homo sapiens SF-539 GI50 3556.31 nM None
Homo sapiens SK-MEL-2 GI50 13520.73 nM None
Homo sapiens SK-MEL-28 GI50 12274.39 nM None
Homo sapiens SK-MEL-5 GI50 1803.02 nM None
Homo sapiens SK-OV-3 GI50 4623.81 nM None
Homo sapiens SN12C GI50 781.63 nM None
Homo sapiens SN12K1 GI50 3899.42 nM None
Homo sapiens SNB-19 GI50 2349.63 nM None
Homo sapiens SNB-75 GI50 1096.48 nM None
Homo sapiens SNB-78 GI50 9682.78 nM None
Homo sapiens SR GI50 409.26 nM None
Homo sapiens SW-620 GI50 1874.99 nM None
Homo sapiens T47D GI50 9204.5 nM None
Homo sapiens TK-10 GI50 16255.49 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 51.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 65.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 63095.7 nM None
Homo sapiens U-251 GI50 1188.5 nM None
Homo sapiens UACC-257 GI50 8279.42 nM None
Homo sapiens UACC-62 GI50 465.59 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 44668.4 nM None
Homo sapiens UO-31 GI50 13899.53 nM None
Homo sapiens XF498 GI50 3614.1 nM None
Mus musculus CCRF S-180 ED50 22.0 ug ml-1 10.1016/j.ejmech.2009.05.013
Mus musculus Mus musculus ED50 16.0 mg.kg-1 10.1021/jm00016a005
Mus musculus Mus musculus ED50 22.0 mg.kg-1 10.1021/jm00062a019
Mus musculus Mus musculus LD50 57.0 mg.kg-1 10.1021/jm00062a019
Mus musculus Mus musculus LD50 57.0 ug ml-1 10.1016/j.ejmech.2009.05.013
Mus musculus Mus musculus Log cell kill 0.63 None 10.1021/jm010202l
Mus musculus Mus musculus Log cell kill 0.86 None 10.1021/jm010202l
Mus musculus Mus musculus Log cell kill 1.21 None 10.1021/jm010202l
Mus musculus Mus musculus MED 0.8 mg kg-1 10.1021/jm00140a012
Mus musculus Mus musculus MTD 75.0 uM kg-1 10.1021/jm010202l
Mus musculus Mus musculus T/C 0.23 min 10.1021/jm00016a005
Mus musculus Mus musculus T/C 225.0 % 10.1021/jm00140a012
Mus musculus P388 GI50 1879.32 nM None
Mus musculus P388/ADR GI50 7744.62 nM None
Plasmodium falciparum Plasmodium falciparum Potency 233.2 nM None
Plasmodium falciparum Plasmodium falciparum Potency 928.5 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 56234.1 nM None
Schistosoma mansoni Thioredoxin glutathione reductase Potency 12589.3 nM None
Streptococcus Streptococcus EC50 60.0 nM None
Streptococcus pyogenes serotype M1 Streptokinase A EC50 60.0 nM None
Streptococcus sp. 'group A' Streptococcus sp. 'group A' EC50 60.0 nM None
None ADMET TR 16.0 None 10.1021/jm00140a012
None Unchecked CC50 1323.0 nM None
None Unchecked CC50 20000.0 nM None
None Unchecked CC50 28334.0 nM None
None Unchecked EC50 88.0 nM None
None Unchecked EC50 100.0 nM None
None Unchecked EC50 6803.0 nM None
None Unchecked EC50 9050.0 nM None
None Unchecked EC50 11610.0 nM None
None Unchecked IC50 120.0 nM None
None Unchecked IC50 650.0 nM None
None Unchecked IC50 3120.0 nM None
None Unchecked IC50 8180.0 nM None
None Unchecked IC50 16320.0 nM None
None Unchecked IC50 31228.0 nM None
None Unchecked IC50 65820.0 nM None
None Unchecked IC50 77210.0 nM None
None Unchecked OD 40.0 mg kg-1 10.1021/jm00016a005
None Unchecked Potency 5011.9 nM None
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 29092.9 nM None

Metabolism Information