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Compound Detail

CHEMBL1199733

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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC3CCCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199733
Phase Preclinical
Structure Type MOL
InChI Key ZKANYWGCBDYGBM-FMKGYKFTSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.3
MW (Da)
-0.26
ALogP
11
HBA
5
HBD
206.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N2O12P2
MW 486.31
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.22

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25868749 10.1016/j.bmc.2015.03.042 P2Y purinoceptor 14 1

Data from ChEMBL 36 via Core Engine