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name Structure Reference Source Properties Activities Metabolism

2-Amino-4,7-dihydroxypteridine; 1H,3H-form 

AlkaPlorer ID: AK016326

Synonym: None

IUPAC Name: 2-amino-3,8-dihydropteridine-4,7-dione

Structure

SMILES: N=C1N=C(O)C2=NC=C(O)N=C2N1

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InChI: InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)

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InChIKey: GLKCOBIIZKYKFN-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 179.139

TPSA？: 118.77

MolLogP？: -0.7564300000000002

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Equus caballus Ferritin light chain Potency 10000.0 nM None
Homo sapiens A498 GI50 125025.9 nM None
Homo sapiens A549 GI50 125025.9 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 3981.1 nM None
Homo sapiens Alpha-galactosidase A Potency 25118.9 nM None
Homo sapiens CAKI-1 GI50 125025.9 nM None
Homo sapiens CCRF-CEM GI50 125025.9 nM None
Homo sapiens Chromobox protein homolog 1 Potency 9.5 nM None
Homo sapiens COLO 205 GI50 125025.9 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DLD-1 GI50 125025.9 nM None
Homo sapiens DMS-114 GI50 125025.9 nM None
Homo sapiens DMS-273 GI50 125025.9 nM None
Homo sapiens EKVX GI50 125025.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 1995.3 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 25118.9 nM None
Homo sapiens HCC 2998 GI50 125025.9 nM None
Homo sapiens HCT-116 GI50 125025.9 nM None
Homo sapiens HCT-15 GI50 78886.01 nM None
Homo sapiens HERG Potency 17782.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 1000.0 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 35481.3 nM None
Homo sapiens HL-60 GI50 125025.9 nM None
Homo sapiens HOP-18 GI50 5807.64 nM None
Homo sapiens HOP-62 GI50 125025.9 nM None
Homo sapiens HOP-92 GI50 125025.9 nM None
Homo sapiens HT-29 GI50 125025.9 nM None
Homo sapiens IGROV-1 GI50 125025.9 nM None
Homo sapiens K562 GI50 125025.9 nM None
Homo sapiens KM12 GI50 125025.9 nM None
Homo sapiens KM-20L2 GI50 72443.6 nM None
Homo sapiens LOX IMVI GI50 125025.9 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 14125.4 nM None
Homo sapiens M19-MEL GI50 85113.8 nM None
Homo sapiens Malme-3M GI50 107894.67 nM None
Homo sapiens MCF7 GI50 125025.9 nM None
Homo sapiens MOLT-4 GI50 125025.9 nM None
Homo sapiens NCI/ADR-RES GI50 125025.9 nM None
Homo sapiens NCI-H226 GI50 125025.9 nM None
Homo sapiens NCI-H23 GI50 125025.9 nM None
Homo sapiens NCI-H322M GI50 125025.9 nM None
Homo sapiens NCI-H460 GI50 125025.9 nM None
Homo sapiens NCI-H522 GI50 19815.27 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 8199.5 nM None
Homo sapiens OVCAR-3 GI50 125025.9 nM None
Homo sapiens OVCAR-4 GI50 125025.9 nM None
Homo sapiens OVCAR-5 GI50 99083.19 nM None
Homo sapiens OVCAR-8 GI50 125025.9 nM None
Homo sapiens Peripheral myelin protein 22 Potency 84921.4 nM None
Homo sapiens Prelamin-A/C Potency 4.5 nM None
Homo sapiens RPMI-8226 GI50 125025.9 nM None
Homo sapiens RXF 393 GI50 125025.9 nM None
Homo sapiens SF-268 GI50 125025.9 nM None
Homo sapiens SF-295 GI50 125025.9 nM None
Homo sapiens SF-539 GI50 125025.9 nM None
Homo sapiens SK-MEL-2 GI50 125025.9 nM None
Homo sapiens SK-MEL-28 GI50 125025.9 nM None
Homo sapiens SK-MEL-5 GI50 125025.9 nM None
Homo sapiens SK-OV-3 GI50 125025.9 nM None
Homo sapiens SN12C GI50 125025.9 nM None
Homo sapiens SN12K1 GI50 125025.9 nM None
Homo sapiens SNB-19 GI50 125025.9 nM None
Homo sapiens SNB-75 GI50 125025.9 nM None
Homo sapiens SNB-78 GI50 125025.9 nM None
Homo sapiens SW-620 GI50 125025.9 nM None
Homo sapiens U-251 GI50 125025.9 nM None
Homo sapiens UACC-257 GI50 125025.9 nM None
Homo sapiens UACC-62 GI50 125025.9 nM None
Homo sapiens UO-31 GI50 125025.9 nM None
Homo sapiens XF498 GI50 10592.54 nM None
Mus musculus P388 GI50 125025.9 nM None
Mus musculus P388/ADR GI50 125025.9 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 2511.9 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 4228.4 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 11917.3 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 18887.6 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 756.9 nM None
None Unchecked Activity 43.5 % 10.1016/j.bmc.2008.10.062
None Unchecked Activity 51.7 % 10.1016/j.bmc.2008.10.062
None Unchecked Delta Tm -0.4 degrees C 10.1016/j.bmc.2008.10.062
None Unchecked Delta Tm 2.2 degrees C 10.1016/j.bmc.2008.10.062
None Unchecked Delta Tm 4.5 degrees C 10.1016/j.bmc.2008.10.062
None Unchecked Delta Tm 4.8 degrees C 10.1016/j.bmc.2008.10.062
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Potency 316.2 nM None
None Unchecked Tm 32.7 degrees C 10.1016/j.bmc.2008.10.062
None Unchecked Tm 33.6 degrees C 10.1016/j.bmc.2008.10.062
None Unchecked Tm 33.7 degrees C 10.1016/j.bmc.2008.10.062
None Unchecked Tm 36.0 degrees C 10.1016/j.bmc.2008.10.062

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT016368 N=c1[nH]c(=O)c2ncc(=O)[nH]c2[nH]1>>O=c1cnc2c(=O)[nH]c(=O)[nH]c2[nH]1 enzymemap_79068
AKRT021103 Nc1nc(O)c2ncc(O)nc2n1>>Nc1nc(O)c2nccnc2n1 MNXR175671
AKRT024893 Oc1cnc2c(O)nc(O)nc2n1>>Nc1nc(O)c2ncc(O)nc2n1 MNXR172122