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Compound Detail

CHEMBL460208

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CC(C)OC(=O)C(C)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460208
Phase Preclinical
Structure Type MOL
InChI Key FXYFKOUCXOUPBQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
3.16
ALogP
11
HBA
3
HBD
155.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N7O5P
MW 517.53
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cowpox virus
CHEMBL612672
 IC50 5.58 5.58 2600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cowpox virus IC50 = 2600.0 nM 5.58 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