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Compound Detail

CHEMBL2347288

2-METHYLADENOSINE
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Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

Basic Information

ChEMBL ID CHEMBL2347288
Name 2-METHYLADENOSINE
Phase Preclinical
Structure Type MOL
InChI Key IQZWKGWOBPJWMX-IOSLPCCCSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
-1.67
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O4
MW 281.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.89

Activity Summary

IC50 2 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.22 5.16 6000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7932587 10.1021/jm00047a017 Unchecked 2
23434367 10.1016/j.bmc.2013.01.054 Mycobacterium tuberculosis 2
7932587 10.1021/jm00047a017 Glyceraldehyde-3-phosphate dehydrogenase 1
15801862 10.1021/jm0408924 Mycobacterium tuberculosis 1
23434367 10.1016/j.bmc.2013.01.054 Unchecked 1
23434367 10.1016/j.bmc.2013.01.054 Vero 1

Data from ChEMBL 36 via Core Engine