UCSF

ZINC05931502

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 20 Yes

Popular Name: 2-Methyladenosine 2-Methyladenosine

Find On: PubMed — Wikipedia — Google

CAS Number: 16526-56-0

Other Names:

m(2)a

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.77 -4.45 -15.27 5 9 0 140 281.272 2 ↓
Lo Low (pH 4.5-6) -0.77 -4.18 -29.69 6 9 1 141 282.28 2 ↓
Lo Low (pH 4.5-6) -0.77 -8.28 -30.33 6 9 1 141 282.28 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0147689A2; EP0238672A1; EP0269574A2; EP0269574B1; EP0311694A1; EP0311694B1; EP0490818A1; EP0490818B1; EP0506892A1; EP0506892B1; EP0579771A1; EP0594578A1; EP0594578B1; EP0601322A2; EP0601322A3; EP0639584B1; EP0649411A1; EP0758386A1; EP0792375A1; EP082434 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G3P-1-E Glyceraldehyde-3-phosphate Dehydrogenase Liver (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
G3P_HUMAN P04406 Glyceraldehyde-3-phosphate Dehydrogenase Liver, Human 6000 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Gluconeogenesis
Glycolysis

Analogs ( Draw Identity 99% 90% 80% 70% )