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Compound Detail

CHEMBL3948614

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Nc1nc2c(ncn2[C@H]2C[C@@H](OCP(=O)(O)O)CO2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3948614
Phase Preclinical
Structure Type MOL
InChI Key WSPAJCZFPKTBJK-PHDIDXHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
-0.86
ALogP
8
HBA
4
HBD
165.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N5O6P
MW 331.23
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.41

Literature References

PubMed DOI Target Context # Activities
27748590 10.1021/acs.jmedchem.6b01260 NON-PROTEIN TARGET 6

Data from ChEMBL 36 via Core Engine