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Compound Detail

CHEMBL3577150

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CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O

Basic Information

ChEMBL ID CHEMBL3577150
Phase Preclinical
Structure Type MOL
InChI Key SIUKGQNAMYOCLM-FQEVSTJZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
4.95
ALogP
7
HBA
3
HBD
145.4
PSA (Ų)
0.10
QED
0
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H44NO8P
MW 481.57
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 0.67

Activity Summary

EC50 2 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Putative P2Y purinoceptor 10
CHEMBL3562166
EC50 7.68 7.675 21.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine