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Compound Detail

CHEMBL238664

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Nc1ncn(C[C@H]2COP(=O)(O)CO2)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238664
Phase Preclinical
Structure Type MOL
InChI Key ZAFZQDSCZHSXRL-YFKPBYRVSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

262.2
MW (Da)
-1.22
ALogP
8
HBA
2
HBD
129.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H11N4O5P
MW 262.16
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.23

Activity Summary

EC50 7 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.77 4.595 17100.0 4
Simian virus 40
CHEMBL613051
 EC50 4.72 4.7067 19100.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 17100.0 nM 4.77 Antiviral activity against Murine polyomavirus MN/RDE Toronto in mouse UC1B cell... 17420214
Simian virus 40 EC50 = 19100.0 nM 4.72 Antiviral activity against Simian virus 40 PML2 DAR in african green monkey BSC1... 17420214
Simian virus 40 EC50 = 19800.0 nM 4.7 Antiviral activity against Simian virus 40 A2895 in african green monkey BSC1 ce... 17420214
Simian virus 40 EC50 = 19800.0 nM 4.7 Antiviral activity against Simian virus 40 PML1 EK in african green monkey BSC1 ... 17420214
NON-PROTEIN TARGET EC50 = 20600.0 nM 4.69 Antiviral activity against Murine polyomavirus 2PTA2 in mouse UC1B cells assesse... 17420214
NON-PROTEIN TARGET EC50 = 32000.0 nM 4.5 Antiviral activity against Murine polyomavirus PTA in mouse UC1B cells assessed ... 17420214
NON-PROTEIN TARGET EC50 = 38100.0 nM 4.42 Antiviral activity against Murine polyomavirus LID1 ATCC VR-252 in mouse UC1B ce... 17420214

Literature References

PubMed DOI Target Context # Activities
17420214 10.1128/aac.01422-06 Unchecked 7
17948980 10.1021/jm0707166 HEL 4
17948980 10.1021/jm0707166 NON-PROTEIN TARGET 4
17420214 10.1128/aac.01422-06 NON-PROTEIN TARGET 4
17420214 10.1128/aac.01422-06 Simian virus 40 3
17948980 10.1021/jm0707166 Human alphaherpesvirus 2 2
17420214 10.1128/aac.01422-06 ADMET 2
17948980 10.1021/jm0707166 Coxsackievirus B4 2
17948980 10.1021/jm0707166 Vesicular stomatitis virus 2
17948980 10.1021/jm0707166 Human betaherpesvirus 5 2
17948980 10.1021/jm0707166 Human alphaherpesvirus 3 2
17948980 10.1021/jm0707166 Respiratory syncytial virus 1
17948980 10.1021/jm0707166 Human respirovirus 3 1
17948980 10.1021/jm0707166 Mammalian orthoreovirus 1 1
17948980 10.1021/jm0707166 Sindbis virus 1
17948980 10.1021/jm0707166 Punta Toro virus 1
17948980 10.1021/jm0707166 HeLa 1
17948980 10.1021/jm0707166 Vero 1
17948980 10.1021/jm0707166 ADMET 1
17948980 10.1021/jm0707166 MOLT-3 1

Data from ChEMBL 36 via Core Engine