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Compound Detail

CHEMBL483263

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Nc1nc(NC(CC(=O)O)C(=O)O)c2ncn(CCOCP(=O)(O)O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483263
Phase Preclinical
Structure Type MOL
InChI Key CISNXJXEYKMYPX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.3
MW (Da)
-1.10
ALogP
10
HBA
6
HBD
223.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N6O8P
MW 404.28
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.47

Activity Summary

EC50 2 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Camelpox virus
CHEMBL613332
 EC50 4.34 4.33 46000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Camelpox virus EC50 = 46000.0 nM 4.34 Antiviral activity against Camelpox virus CML14 infected in HEL299 cells assesse... 17893157
Camelpox virus EC50 = 48300.0 nM 4.32 Antiviral activity against Camelpox virus CML1 infected in HEL299 cells assessed... 17893157

Literature References

PubMed DOI Target Context # Activities
17893157 10.1128/aac.00838-07 ADMET 4
17893157 10.1128/aac.00838-07 Unchecked 4
17893157 10.1128/aac.00838-07 Camelpox virus 4

Data from ChEMBL 36 via Core Engine