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

CHEMBL469067

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
CCOP(=O)(CNC(=O)CCNC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469067
Phase Preclinical
Structure Type MOL
InChI Key LNADEPBVKWCVTJ-KNCOVGOOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)
-2.00
ALogP
11
HBA
5
HBD
198.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27N4O10P
MW 478.40
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.16

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18630897 10.1021/jm800175e P2Y purinoceptor 2 2
18630897 10.1021/jm800175e P2Y purinoceptor 4 2
18630897 10.1021/jm800175e P2Y purinoceptor 6 2
18630897 10.1021/jm800175e Ectonucleoside triphosphate diphosphohydrolase 1 1
18630897 10.1021/jm800175e Ectonucleoside triphosphate diphosphohydrolase 2 1
18630897 10.1021/jm800175e Ectonucleoside triphosphate diphosphohydrolase 8 1
18630897 10.1021/jm800175e Ectonucleoside triphosphate diphosphohydrolase 3 1

Data from ChEMBL 36 via Core Engine