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Compound Detail

CHEMBL3417271

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[N-]=[N+]=N[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL3417271
Phase Preclinical
Structure Type MOL
InChI Key SAVHTXGSGYWUMZ-XZMZPDFPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.2
MW (Da)
-1.57
ALogP
14
HBA
7
HBD
319.2
PSA (Ų)
0.08
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15N6O14P3
MW 524.17
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.18

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 Inhibition of Respiratory syncytial virus RNA polymerase in crude RSV RNP comple... 25667954

Literature References

PubMed DOI Target Context # Activities
25667954 10.1021/jm5017279 Unchecked 1

Data from ChEMBL 36 via Core Engine