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Compound Detail

CHEMBL4443859

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Nc1nccc2c1ncn2[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 CHEMBL4443859
Phase Preclinical
Structure Type MOL
InChI Key LOGAWORWPZCZGH-UGKPPGOTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.2
MW (Da)
-1.03
ALogP
10
HBA
6
HBD
210.5
PSA (Ų)
0.31
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 C12H18N4O9P2
MW 424.24
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.93

Literature References

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

Data from ChEMBL 36 via Core Engine