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Compound Detail

CHEMBL5275097

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Nc1nc(F)cc2c1ncn2C1=C[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5275097
Phase Preclinical
Structure Type MOL
InChI Key UANVWGLISKDHSO-ORCOQGSOSA-N
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
-0.66
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13FN4O3
MW 280.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.44

Activity Summary

EC50 9 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Measles morbillivirus
CHEMBL613738
 EC50 6.44 6.425 360.0 2
Hepatitis B virus
CHEMBL613497
 EC50 6.37 6.37 430.0 1
Pichinde virus
CHEMBL613742
 EC50 5.59 5.535 2570.0 2
Tacaribe virus
CHEMBL613131
 EC50 5.07 5.02 8600.0 2
Rift Valley fever virus
CHEMBL613130
 EC50 4.66 4.57 22100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Measles morbillivirus EC50 = 360.0 nM 6.44 Antiviral activity against Measles virus CC infected in African green monkey Ver... 36898483
Measles morbillivirus EC50 = 390.0 nM 6.41 Antiviral activity against Measles virus CC infected in African green monkey Ver... 36898483
Hepatitis B virus EC50 = 430.0 nM 6.37 Antiviral activity against HBV ayw1 infected in human HepG2.2.15 cells 36898483
Pichinde virus EC50 = 2570.0 nM 5.59 Antiviral activity against Pichinde virus AN 4763 infected in African green monk... 36898483
Pichinde virus EC50 = 3320.0 nM 5.48 Antiviral activity against Pichinde virus AN 4763 infected in African green monk... 36898483
Tacaribe virus EC50 = 8600.0 nM 5.07 Antiviral activity against Tacaribe virus TRVL11573 infected in African green mo... 36898483
Tacaribe virus EC50 = 10700.0 nM 4.97 Antiviral activity against Tacaribe virus TRVL11573 infected in African green mo... 36898483
Rift Valley fever virus EC50 = 22100.0 nM 4.66 Antiviral activity against Rift Valley fever virus MP-12 infected in African gre... 36898483
Rift Valley fever virus EC50 = 33200.0 nM 4.48 Antiviral activity against Rift Valley fever virus MP-12 infected in African gre... 36898483

Literature References

PubMed DOI Target Context # Activities
36898483 10.1016/j.bmcl.2023.129219 ADMET 9
36898483 10.1016/j.bmcl.2023.129219 Vero 76 4
36898483 10.1016/j.bmcl.2023.129219 Vero 4
36898483 10.1016/j.bmcl.2023.129219 Rift Valley fever virus 3
36898483 10.1016/j.bmcl.2023.129219 Tacaribe virus 3
36898483 10.1016/j.bmcl.2023.129219 Measles morbillivirus 2
36898483 10.1016/j.bmcl.2023.129219 Pichinde virus 2
36898483 10.1016/j.bmcl.2023.129219 Venezuelan equine encephalitis virus 1
36898483 10.1016/j.bmcl.2023.129219 Punta Toro virus 1
36898483 10.1016/j.bmcl.2023.129219 Human betaherpesvirus 5 1
36898483 10.1016/j.bmcl.2023.129219 Japanese encephalitis virus 1
36898483 10.1016/j.bmcl.2023.129219 dengue virus type 2 1
36898483 10.1016/j.bmcl.2023.129219 Chikungunya virus 1
36898483 10.1016/j.bmcl.2023.129219 HepG2 2.2.15 1
36898483 10.1016/j.bmcl.2023.129219 Hepatitis B virus 1
36898483 10.1016/j.bmcl.2023.129219 Lassa virus 1
36898483 10.1016/j.bmcl.2023.129219 Middle East respiratory syndrome-related coronavirus 1

Data from ChEMBL 36 via Core Engine