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Compound Detail

CHEMBL518795

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CC(C)OC(=O)C(C)NP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL518795
Phase Preclinical
Structure Type MOL
InChI Key LDEKQSIMHVQZJK-DCEZVVCRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
2.97
ALogP
10
HBA
2
HBD
143.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H29N6O5P
MW 476.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cowpox virus
CHEMBL612672
 IC50 4.0 4.0 98900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cowpox virus IC50 = 98900.0 nM 4.0 Antiviral activity against Cowpox virus 19112024

Literature References

PubMed DOI Target Context # Activities
19112024 10.1016/j.bmc.2008.11.075 Cowpox virus 1

Data from ChEMBL 36 via Core Engine