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

CHEMBL3577140

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
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)(C)COP(=O)(O)OC[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577140
Phase Preclinical
Structure Type MOL
InChI Key NKVRGJWGMLNVHA-DGVDTQEHSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

535.7
MW (Da)
6.14
ALogP
7
HBA
3
HBD
145.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H50NO8P
MW 535.66
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 0.83

Activity Summary

EC50 4 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Putative P2Y purinoceptor 10
CHEMBL3562166
 EC50 7.24 7.235 58.0 2
Probable G-protein coupled receptor 34
CHEMBL3562165
 EC50 6.5 6.5 316.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Putative P2Y purinoceptor 10 EC50 = 58.0 nM 7.24 Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Putative P2Y purinoceptor 10 EC50 = 58.88 nM 7.23 Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Probable G-protein coupled receptor 34 EC50 = 320.0 nM 6.5 Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Probable G-protein coupled receptor 34 EC50 = 316.23 nM 6.5 Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ... 25970039

Literature References

PubMed DOI Target Context # Activities
25970039 10.1021/jm5020082 Probable G-protein coupled receptor 34 2
25970039 10.1021/jm5020082 Putative P2Y purinoceptor 10 2
25970039 10.1021/jm5020082 Probable G-protein coupled receptor 174 1

Data from ChEMBL 36 via Core Engine