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Compound Detail

CHEMBL4781912

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CN(C)CC(C)(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4781912
Phase Preclinical
Structure Type MOL
InChI Key DKWJYEWXFRVCPM-FSXPKSEBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

534.9
MW (Da)
0.93
ALogP
11
HBA
5
HBD
175.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32ClN6O7P
MW 534.94
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
32865411 10.1021/acs.jmedchem.0c01086 5'-nucleotidase 1

Data from ChEMBL 36 via Core Engine