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name Structure Reference Source Properties Activities Metabolism

NSC636979

AlkaPlorer ID: AK047522

Synonym: 'Artemicidin', 'Altemicidin', 'NSC636979', 'Artemicidine'

IUPAC Name: (7R)-4-carbamoyl-6-hydroxy-2-methyl-7-[(2-sulfamoylacetyl)amino]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid

Structure

SMILES: CN1C=C(C(=N)O)C2CC(O)[C@@](N=C(O)CS(N)(=O)=O)(C(=O)O)C2C1

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InChI: InChI=1S/C13H20N4O7S/c1-17-3-7(11(14)20)6-2-9(18)13(12(21)22,8(6)4-17)16-10(19)5-25(15,23)24/h3,6,8-9,18H,2,4-5H2,1H3,(H2,14,20)(H,16,19)(H,21,22)(H2,15,23,24)/t6?,8?,9?,13-/m1/s1

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InChIKey: VZRFZUPFQKSXPV-VZZGELKGSA-N

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Properties Information

Molecule Weight: 376.3910000000001

TPSA？: 197.6

MolLogP？: -1.5836299999999983

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 3614.1 nM None
Homo sapiens A498 GI50 2027.68 nM None
Homo sapiens A549 GI50 3250.87 nM None
Homo sapiens ACHN GI50 4875.28 nM None
Homo sapiens CAKI-1 GI50 5457.58 nM None
Homo sapiens CCRF-CEM GI50 9332.54 nM None
Homo sapiens COLO 205 GI50 14092.89 nM None
Homo sapiens DLD-1 GI50 16788.04 nM None
Homo sapiens DMS-114 GI50 2517.68 nM None
Homo sapiens DMS-273 GI50 3206.27 nM None
Homo sapiens EKVX GI50 4187.94 nM None
Homo sapiens HCC 2998 GI50 18492.69 nM None
Homo sapiens HCT-116 GI50 3318.94 nM None
Homo sapiens HCT-15 GI50 8912.51 nM None
Homo sapiens HL-60 GI50 10.0 nM None
Homo sapiens HOP-18 GI50 8413.95 nM None
Homo sapiens HOP-62 GI50 1823.9 nM None
Homo sapiens HOP-92 GI50 1492.79 nM None
Homo sapiens HT-29 GI50 3326.6 nM None
Homo sapiens IGROV-1 GI50 2728.98 nM None
Homo sapiens K562 GI50 2167.7 nM None
Homo sapiens KM12 GI50 20701.41 nM None
Homo sapiens KM-20L2 GI50 3793.15 nM None
Homo sapiens LOX IMVI GI50 2371.37 nM None
Homo sapiens LXFL 529 GI50 4602.57 nM None
Homo sapiens M14 GI50 1485.94 nM None
Homo sapiens M19-MEL GI50 4385.31 nM None
Homo sapiens Malme-3M GI50 4570.88 nM None
Homo sapiens MOLT-4 GI50 1698.24 nM None
Homo sapiens NCI-H226 GI50 2679.17 nM None
Homo sapiens NCI-H23 GI50 1862.09 nM None
Homo sapiens NCI-H322M GI50 3639.15 nM None
Homo sapiens NCI-H460 GI50 3491.4 nM None
Homo sapiens NCI-H522 GI50 11721.95 nM None
Homo sapiens OVCAR-3 GI50 17458.22 nM None
Homo sapiens OVCAR-4 GI50 2089.3 nM None
Homo sapiens OVCAR-5 GI50 2415.46 nM None
Homo sapiens OVCAR-8 GI50 5902.01 nM None
Homo sapiens RPMI-8226 GI50 17988.71 nM None
Homo sapiens RXF 393 GI50 1761.98 nM None
Homo sapiens RXF 631 GI50 2978.52 nM None
Homo sapiens SF-268 GI50 3019.95 nM None
Homo sapiens SF-295 GI50 2754.23 nM None
Homo sapiens SF-539 GI50 2051.16 nM None
Homo sapiens SK-MEL-2 GI50 2917.43 nM None
Homo sapiens SK-MEL-28 GI50 2426.61 nM None
Homo sapiens SK-MEL-5 GI50 6309.57 nM None
Homo sapiens SK-OV-3 GI50 2466.04 nM None
Homo sapiens SN12C GI50 18155.16 nM None
Homo sapiens SNB-19 GI50 2792.54 nM None
Homo sapiens SNB-75 GI50 2228.44 nM None
Homo sapiens SNB-78 GI50 2747.89 nM None
Homo sapiens SR GI50 2018.37 nM None
Homo sapiens SW-620 GI50 3872.58 nM None
Homo sapiens TK-10 GI50 3917.42 nM None
Homo sapiens U-251 GI50 3047.89 nM None
Homo sapiens UACC-257 GI50 5236.0 nM None
Homo sapiens UACC-62 GI50 2172.7 nM None
Homo sapiens UO-31 GI50 3047.89 nM None
Homo sapiens XF498 GI50 1273.5 nM None

Metabolism Information