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

CHEMBL609768

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
CCCCCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609768
Phase Preclinical
Structure Type MOL
InChI Key BYVZQVBXRFZWMY-VDXVPGQCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
1.67
ALogP
9
HBA
4
HBD
148.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34N6O4
MW 434.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.43

Activity Summary

Ki 1 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
2-oxoglutarate receptor 1
CHEMBL2325
 Ki 6.91 6.91 123.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
2-oxoglutarate receptor 1 Ki = 123.0 nM 6.91 Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM ... 11170630

Literature References

PubMed DOI Target Context # Activities
11170630 10.1021/jm000150k 2-oxoglutarate receptor 1 1

Data from ChEMBL 36 via Core Engine