UCSF

ZINC04245632

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 Yes

Popular Name: N6-methyladenosine N6-methyladenosine

Find On: PubMed — Wikipedia — Google

CAS Number: 1867-73-8

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) -0.48 -3.24 -15.31 4 9 0 126 281.272 3 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALKB5_BOVIN; ALKB5_DANRE; ALKB5_HUMAN; ALKB5_MOUSE; ALKB5_RAT; ALKB5_XENLA; ALKB5_XENTR; ELAV1_HUMAN; ELAV1_MOUSE; ELAV1_XENTR; ELV1A_XENLA; ELV1B_XENLA; FIP37_ARATH; FL2D_DANRE; FL2D_HUMAN; FL2D_MOUSE; FL2D_XENLA; FL2D_XENTR; FTO_HUMAN; FTO_MOUSE; FTO_PO ChEBI
PUBCHEM_PATENT_ID EP0506892A1; EP0506892B1; EP0579771A1; EP0594578A1; EP0594578B1; EP0639584B1; EP0649411A1; EP0755255A1; EP0758386A1; EP0792375A1; EP0824345A1; EP0871773A2; EP0905259A1; EP0948256A1; EP0981646A1; EP1053313A1; US5130302; US5177198; US5258284; US5426180; US5 IBM Patent Data
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-2-E Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
AA3R-2-E Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic Eukaryotes 9 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 9.3 0.56 Binding ≤ 1μM
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 6000 0.37 Binding ≤ 10μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 9.3 0.56 Binding ≤ 10μM
AA3R_RAT P28647 Adenosine A3 Receptor, Rat 6400 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
G alpha (i) signalling events

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