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Compound Detail

CHEMBL215381

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O=C(Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215381
Phase Preclinical
Structure Type MOL
InChI Key BVOHBCXZDSIVFU-DTZQCDIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

442.3
MW (Da)
-1.38
ALogP
10
HBA
4
HBD
177.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N2O10P
MW 442.32
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
17125260 10.1021/jm060848j P2Y purinoceptor 6 3
17125260 10.1021/jm060848j P2Y purinoceptor 4 3
17125260 10.1021/jm060848j P2Y purinoceptor 2 3

Data from ChEMBL 36 via Core Engine