Navigation

name Structure Reference Source Properties Activities Metabolism

N6-Methyladenosine

AlkaPlorer ID: AK004173

Synonym: None

IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol

Structure

SMILES: CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

copy

InChI: InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1

copy

InChIKey: VQAYFKKCNSOZKM-IOSLPCCCSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 281.27200000000005

TPSA？: 125.55000000000001

MolLogP？: -1.5205

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Bacillus anthracis IC50 190000.0 nM 10.1128/aac.01029-10
Bacillus anthracis Bacillus anthracis IC50 nan None 10.1128/aac.01029-10
Homo sapiens Adenosine A1 receptor Affinity constant 0.1 uM 10.1021/jm00345a001
Homo sapiens Adenosine A1 receptor Ki 6000.0 nM 10.1021/jm049580r
Homo sapiens Adenosine A2a receptor Displacement 17.0 % 10.1021/jm049580r
Homo sapiens Adenosine A2b receptor Activation 16.0 % 10.1021/jm049580r
Homo sapiens Adenosine A2 receptor Affinity constant 80.0 uM 10.1021/jm00345a001
Homo sapiens Adenosine A3 receptor Activation 96.0 % 10.1021/jm049580r
Homo sapiens Adenosine A3 receptor Ki 9.3 nM 10.1021/jm049580r
Homo sapiens Adenosine deaminase-like protein Activity nan None 10.1021/jm200650j
Homo sapiens Adenosine receptor Affinity constant nan None 10.1021/jm00345a001
Homo sapiens Alpha-1a adrenergic receptor MPR 0.05 None 10.1021/jm00149a016
Homo sapiens Ataxin-2 Potency 31622.8 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 16353.5 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 18348.9 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 35481.3 nM None
Homo sapiens Cerebroside-sulfatase Potency 9528.3 nM None
Homo sapiens Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens Endoplasmin Activity 6.0 % 10.1021/acsmedchemlett.0c00509
Homo sapiens Endoplasmin Kd 50000.0 nM 10.1021/acsmedchemlett.0c00509
Homo sapiens Endoplasmin Ki 10000.0 nM 10.1021/acsmedchemlett.0c00509
Homo sapiens Heat shock protein HSP 90-alpha Activity 7.0 % 10.1021/acsmedchemlett.0c00509
Homo sapiens Heat shock protein HSP 90-alpha Kd 50000.0 nM 10.1021/acsmedchemlett.0c00509
Homo sapiens Heat shock protein HSP 90-alpha Ki 3000.0 nM 10.1021/acsmedchemlett.0c00509
Homo sapiens HEK293 Potency 20587.8 nM None
Homo sapiens Histone deacetylase 6 Inhibition -7.08 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 1.68 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 25118.9 nM None
Homo sapiens HT-29 IC50 100000.0 nM 10.1021/jm048944c
Homo sapiens K562 IC50 100000.0 nM 10.1021/jm048944c
Homo sapiens MCF7 IC50 100000.0 nM 10.1021/jm048944c
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 19952.6 nM None
Homo sapiens Phosphoglycerate kinase IC50 nan nM 10.1021/jm000287a
Homo sapiens Relaxin receptor 1 Potency 19484.6 nM None
Homo sapiens Relaxin receptor 1 Potency 22387.2 nM None
Homo sapiens Relaxin receptor 2 Potency 38876.9 nM None
Homo sapiens Transcriptional regulator ERG Potency 14125.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8199.5 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 89125.1 nM None
Homo sapiens Vasopressin V1b receptor Potency 61615.7 nM None
Homo sapiens YTH domain-containing family protein 2 Activity 100.0 % 10.1021/acsmedchemlett.2c00303
Homo sapiens YTH domain-containing protein 1 Activity 32.0 % 10.1021/acsmedchemlett.2c00303
Homo sapiens YTH domain-containing protein 1 IC50 504000.0 nM 10.1021/acsmedchemlett.2c00303
Mus musculus J774.A1 Activity nan None 10.1128/aac.01029-10
Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM None
Rattus norvegicus Adenosine A3 receptor Ki 6400.0 nM 10.1021/jm049580r
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 251.2 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 891.3 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 8.627 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -4.46 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.05 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.1073 None 10.1101/2020.04.03.023846
Tick-borne encephalitis virus Tick-borne encephalitis virus EC50 50000.0 nM 10.1016/j.bmcl.2017.01.040
Tick-borne encephalitis virus Tick-borne encephalitis virus Inhibition nan % 10.1016/j.bmcl.2017.01.040
Trypanosoma brucei 6-phospho-1-fructokinase Potency 6745.6 nM None
None ADMET k' 0.07 None 10.1021/jm00149a016
None Unchecked CC50 nan None 10.1016/j.bmcl.2017.01.040
None Unchecked IC50 2680.0 nM None
None Unchecked IC50 3970.0 nM None
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Potency 14581.0 nM None
None Unchecked Potency 22387.2 nM None

Metabolism Information