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Compound Detail

CHEMBL265948

FILOCICLOVIR
🧪 Phase II
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🧪 Phase II
Nc1nc2c(ncn2/C=C2/CC2(CO)CO)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL265948
Name FILOCICLOVIR
Phase Phase II
Structure Type MOL
InChI Key KMUNHOKTIVSFRA-KXFIGUGUSA-N

Known Names

Cyclopropavir Filociclovir MBX-400 ZSM-162 ZSM-I 62 ZSM-I62
7
Targets
34
Activities
3
Assay Types
0
PK Parameters
20
Publications
6
Known Names

Molecular Properties

263.3
MW (Da)
-1.08
ALogP
7
HBA
4
HBD
130.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -vir
USAN Year 2013

Extended Properties

Molecular Formula C11H13N5O3
MW 263.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.35

Activity Summary

EC50 24 meas. best 6.66
IC50 9 meas. best 5.89
Ki 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine protein kinase UL97
CHEMBL1287608
 Ki 8.52 8.52 3.0 1
Human gammaherpesvirus 4
CHEMBL613124
 EC50 6.66 5.5714 220.0 7
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.57 6.57 270.0 1
Murid betaherpesvirus 1
CHEMBL613495
 EC50 6.57 6.57 270.0 1
MEF
CHEMBL614342
 EC50 6.57 6.57 270.0 1
Human betaherpesvirus 5
CHEMBL371
 EC50 6.48 5.9 330.0 14
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.89 5.495 1300.0 2
Human betaherpesvirus 5
CHEMBL371
 IC50 5.85 5.85 1400.0 1
Human gammaherpesvirus 8
CHEMBL612780
 IC50 5.52 5.52 3000.0 1
Human gammaherpesvirus 4
CHEMBL613124
 IC50 4.35 4.35 45000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine protein kinase UL97 Ki = 3.0 nM 8.52 Inhibition of Human cytomegalovirus pUL97 assessed as inhibition of phosphorylat... 20547817
Human gammaherpesvirus 4 EC50 = 220.0 nM 6.66 Antiviral activity against Epstein-Barr virus infected in human Akata cells by D... 19397271
Human gammaherpesvirus 4 EC50 = 220.0 nM 6.66 Antiviral activity against Epstein-Barr virus in human Akata cells by DNA hybrid... 19410465
Human gammaherpesvirus 4 EC50 = 220.0 nM 6.66 Antiviral activity against Epstein-Barr virus infected in human akata cells 18082410
MEF EC50 = 270.0 nM 6.57 In vitro effective concentration required to inhibit murine cytomegalovirus (MCM... 14736238
Murid betaherpesvirus 1 EC50 = 270.0 nM 6.57 Antiviral activity against Murine cytomegalovirus in MEF by plaque reduction ass... 19410465
NON-PROTEIN TARGET EC50 = 270.0 nM 6.57 Effective concentration for antiviral activity against AD169 strain of murine cy... 15634003
Human betaherpesvirus 5 EC50 = 330.0 nM 6.48 Effective concentration for antiviral activity against towne strain of human cyt... 15634003
Human betaherpesvirus 5 EC50 = 460.0 nM 6.34 Antiviral activity against Human cytomegalovirus Towne in HFF by plaque reductio... 19410465
Human betaherpesvirus 5 EC50 = 460.0 nM 6.34 In vitro effective concentration required to inhibit towne strain of human cytom... 14736238
Human betaherpesvirus 5 EC50 = 460.0 nM 6.34 Antiviral activity against Human cytomegalovirus 20547817
Human betaherpesvirus 5 EC50 = 460.0 nM 6.34 Antiviral activity against Human cytomegalovirus Towne infected in human foreski... 19397271
Human betaherpesvirus 5 EC50 = 490.0 nM 6.31 In vitro effective concentration required to inhibit AD169 strain of human cytom... 14736238
Human betaherpesvirus 5 EC50 = 490.0 nM 6.31 Antiviral activity against Human cytomegalovirus AD169 in HFF by plaque reductio... 19410465
Human betaherpesvirus 5 EC50 = 490.0 nM 6.31 Antiviral activity against Human cytomegalovirus AD169 infected in human foreski... 19397271
Human betaherpesvirus 5 EC50 = 490.0 nM 6.31 Effective concentration for antiviral activity against AD169 strain of human cyt... 15634003
Human betaherpesvirus 5 EC50 = 600.0 nM 6.22 Antiviral activity against Human cytomegalovirus Towne expressing wild type UL97... 19410465
NON-PROTEIN TARGET IC50 = 1300.0 nM 5.89 Antiviral activity against HHV-6A infected in human HSB2 cells assessed as reduc... 22607883
Human betaherpesvirus 5 IC50 = 1400.0 nM 5.85 Antiviral activity against HCMV infected in human HFF cells assessed as reductio... 22607883
Human gammaherpesvirus 8 IC50 = 3000.0 nM 5.52 Antiviral activity against HHV-8 infected in human BCBL1 cells assessed as reduc... 22607883

Literature References

PubMed DOI Target Context # Activities
19410465 10.1016/j.bmc.2009.04.020 Human betaherpesvirus 5 5
19397271 10.1021/jm900126v Human betaherpesvirus 5 4
22417649 10.1016/j.bmc.2012.02.031 Murid betaherpesvirus 1 4
20547817 10.1128/aac.00468-10 Serine/threonine protein kinase UL97 4
14736238 10.1021/jm030316s Human gammaherpesvirus 4 3
22607883 10.1016/j.bmc.2012.04.049 ADMET 3
14736238 10.1021/jm030316s Human betaherpesvirus 5 3
15634003 10.1021/jm040149b Human alphaherpesvirus 1 3
22607883 10.1016/j.bmc.2012.04.049 NON-PROTEIN TARGET 2
19397271 10.1021/jm900126v HFF 2
20547817 10.1128/aac.00468-10 Human betaherpesvirus 5 2
15634003 10.1021/jm040149b Human gammaherpesvirus 4 2
15634003 10.1021/jm040149b HFF 2
15634003 10.1021/jm040149b Human alphaherpesvirus 2 2
15634003 10.1021/jm040149b NON-PROTEIN TARGET 2
19410465 10.1016/j.bmc.2009.04.020 Human alphaherpesvirus 1 2
15634003 10.1021/jm040149b Human betaherpesvirus 5 2
19410465 10.1016/j.bmc.2009.04.020 HFF 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513161 HEK293 1

Data from ChEMBL 36 via Core Engine