Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL383144

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383144
Phase Preclinical
Structure Type MOL
InChI Key VQAYFKKCNSOZKM-IOSLPCCCSA-N
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
-1.52
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
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 1.04

Activity Summary

IC50 4 meas. best 5.57
Ki 3 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine receptor A3
CHEMBL256
 Ki 8.03 8.03 9.3 1
Unchecked
CHEMBL612545
 IC50 5.57 5.485 2680.0 2
Adenosine receptor A1
CHEMBL226
 Ki 5.22 5.22 6000.0 1
Adenosine receptor A3
CHEMBL3360
 Ki 5.19 5.19 6400.0 1
YTH domain-containing protein 1
CHEMBL5169187
 IC50 3.3 3.3 504000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine receptor A3 Ki = 9.3 nM 8.03 Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in... 15771421
Unchecked IC50 = 2680.0 nM 5.57 PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... -
Unchecked IC50 = 3970.0 nM 5.4 PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... -
Adenosine receptor A1 Ki = 6000.0 nM 5.22 Inhibition of [3H]R-PIA binding to human Adenosine A1 receptor expressed in CHO ... 15771421
Adenosine receptor A3 Ki = 6400.0 nM 5.19 Inhibition of [125I]AB-MECA binding to rat Adenosine A3 receptor expressed in CH... 15771421
YTH domain-containing protein 1 IC50 = 504000.0 nM 3.3 Binding affinity to GST-tagged YTHDC1 m6A-reader domain (unknown origin) using R... 36110386

Literature References

PubMed DOI Target Context # Activities
37248632 10.1021/acs.jmedchem.3c00555 Serine/threonine-protein kinase PINK1, mitochondrial 4
37248632 10.1021/acs.jmedchem.3c00555 HeLa 4
33738064 10.1021/acsmedchemlett.0c00509 Heat shock protein HSP 90-alpha 3
15771421 10.1021/jm049580r Adenosine receptor A3 3
33738064 10.1021/acsmedchemlett.0c00509 Endoplasmin 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
28159412 10.1016/j.bmcl.2017.01.040 Unchecked 2
36110386 10.1021/acsmedchemlett.2c00303 YTH domain-containing protein 1 2
16033277 10.1021/jm048944c K562 2
28159412 10.1016/j.bmcl.2017.01.040 Tick-borne encephalitis virus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
20921305 10.1128/aac.01029-10 Bacillus anthracis 2
15771421 10.1021/jm049580r Adenosine receptor A2a 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
15771421 10.1021/jm049580r Adenosine receptor A2b 1
16033277 10.1021/jm048944c MCF7 1
16033277 10.1021/jm048944c HT-29 1
2999397 10.1021/jm00149a016 Alpha-1A adrenergic receptor 1
6279840 10.1021/jm00345a001 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine