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Compound Detail

CHEMBL4468019

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Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)CP(=O)(O)O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468019
Phase Preclinical
Structure Type MOL
InChI Key UDAIWFMGVMJLEG-XLPZGREQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.2
MW (Da)
-0.61
ALogP
10
HBA
5
HBD
203.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17N5O8P2
MW 409.23
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.72

Literature References

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

Data from ChEMBL 36 via Core Engine