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Compound Detail

CHEMBL4471653

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O=c1ccn([C@@]23C[C@H]2[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4471653
Phase Preclinical
Structure Type MOL
InChI Key KWOZLGGORHMCCA-HIBIETOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.2
MW (Da)
-2.06
ALogP
8
HBA
6
HBD
199.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N2O10P2
MW 412.23
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
30895781 10.1021/acs.jmedchem.9b00164 5'-nucleotidase 2

Data from ChEMBL 36 via Core Engine