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Compound Detail

CHEMBL3814707

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N[C@@H](COP(=O)(O)OC[C@H]1OCC=C[C@@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3814707
Phase Preclinical
Structure Type MOL
InChI Key QUMUJVAMABZIDA-PIZZNKLWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

627.6
MW (Da)
4.40
ALogP
10
HBA
3
HBD
173.1
PSA (Ų)
0.12
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34NO11P
MW 627.58
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
27077565 10.1021/acs.jmedchem.5b01925 Probable G-protein coupled receptor 34 4
27077565 10.1021/acs.jmedchem.5b01925 Putative P2Y purinoceptor 10 4

Data from ChEMBL 36 via Core Engine