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Compound Detail

CHEMBL5428143

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Cc1cccc(COc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL5428143
Phase Preclinical
Structure Type MOL
InChI Key INZQJNWLTKAVFW-FQEVSTJZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

495.5
MW (Da)
2.99
ALogP
8
HBA
3
HBD
154.6
PSA (Ų)
0.19
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30NO9P
MW 495.47
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.11

Activity Summary

EC50 2 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Putative P2Y purinoceptor 10
CHEMBL3562168
EC50 6.47 6.47 338.8 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36965226 10.1016/j.ejmech.2023.115271 Putative P2Y purinoceptor 10 3
36965226 10.1016/j.ejmech.2023.115271 Probable G-protein coupled receptor 34 2

Data from ChEMBL 36 via Core Engine