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

CHEMBL3577175

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
CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577175
Phase Preclinical
Structure Type MOL
InChI Key WQJJSZPJURMPSD-IAPPQJPRSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

617.7
MW (Da)
5.54
ALogP
9
HBA
4
HBD
174.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H52NO10P
MW 617.72
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 0.44

Activity Summary

EC50 6 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Putative P2Y purinoceptor 10
CHEMBL3562166
 EC50 7.89 7.89 12.9 2
Probable G-protein coupled receptor 174
CHEMBL3562167
 EC50 7.6 7.6 25.0 2
Probable G-protein coupled receptor 34
CHEMBL3562165
 EC50 6.8 6.8 158.5 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Putative P2Y purinoceptor 10 EC50 = 13.0 nM 7.89 Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Putative P2Y purinoceptor 10 EC50 = 12.88 nM 7.89 Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Probable G-protein coupled receptor 174 EC50 = 25.0 nM 7.6 Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after ... 25970039
Probable G-protein coupled receptor 174 EC50 = 25.12 nM 7.6 Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after ... 25970039
Probable G-protein coupled receptor 34 EC50 = 160.0 nM 6.8 Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Probable G-protein coupled receptor 34 EC50 = 158.49 nM 6.8 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 2

Data from ChEMBL 36 via Core Engine