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Compound Detail

CHEMBL567724

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CCCCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL567724
Phase Preclinical
Structure Type MOL
InChI Key BZWCJGOYMPDERD-QFIPXVFZSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
5.73
ALogP
7
HBA
3
HBD
145.4
PSA (Ų)
0.08
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H48NO8P
MW 509.62
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 0.63

Activity Summary

EC50 6 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast cell
CHEMBL613709
 EC50 7.4 6.85 40.0 2
Putative P2Y purinoceptor 10
CHEMBL3562166
 EC50 7.06 7.06 87.0 2
Probable G-protein coupled receptor 34
CHEMBL3562165
 EC50 5.78 5.775 1659.6 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast cell EC50 = 40.0 nM 7.4 Induction of C57BL/6 mouse peritoneal mast cell degradation assessed as concanav... 19743861
Putative P2Y purinoceptor 10 EC50 = 87.0 nM 7.06 Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Putative P2Y purinoceptor 10 EC50 = 87.1 nM 7.06 Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Mast cell EC50 = 500.0 nM 6.3 Induction of Wistar rat peritoneal mast cell degradation assessed as concanavali... 19743861
Probable G-protein coupled receptor 34 EC50 = 1659.59 nM 5.78 Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ... 25970039
Probable G-protein coupled receptor 34 EC50 = 1700.0 nM 5.77 Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ... 25970039

Literature References

PubMed DOI Target Context # Activities
19743861 10.1021/jm900598m Mast cell 2
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