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Compound Detail

CHEMBL4448168

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O=c1cc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4448168
Phase Preclinical
Structure Type MOL
InChI Key YNCOOFKWZGAQLG-QCNRFFRDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.2
MW (Da)
-1.49
ALogP
9
HBA
6
HBD
196.0
PSA (Ų)
0.30
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 C11H17NO11P2
MW 401.20
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.16

Literature References

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

Data from ChEMBL 36 via Core Engine