Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL144817

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144817
Phase Preclinical
Structure Type MOL
InChI Key YDVGWQCQUBLRBT-IPMKNSEASA-N
3
Targets
14
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.31
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N2O5
MW 392.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.83

Activity Summary

EC50 14 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human alphaherpesvirus 3
CHEMBL613132
 EC50 8.1 7.7918 8.0 11
HEL
CHEMBL613888
 EC50 8.1 7.96 8.0 2
Human betaherpesvirus 5
CHEMBL371
 EC50 4.19 4.19 64000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human alphaherpesvirus 3 EC50 = 8.0 nM 8.1 Compound was evaluated for the inhibition of VZV strains of YS 10579812
Human alphaherpesvirus 3 EC50 = 8.0 nM 8.1 The compound was tested for its effective concentration required to reduce virus... 10866384
Human alphaherpesvirus 3 EC50 = 8.0 nM 8.1 Effective concentration required for reduction of plaque formation of Varicella-... 11212118
Human alphaherpesvirus 3 EC50 = 8.0 nM 8.1 Evaluated for the anti-VZV activity, the concentration of compounds in uM requir... 11150169
HEL EC50 = 8.0 nM 8.1 Antiviral activity was measured as effective concentration required to reduce Va... 11549457
Human alphaherpesvirus 3 EC50 = 15.0 nM 7.82 Compound was evaluated for the inhibition of VZV strains of OKA 10579812
Human alphaherpesvirus 3 EC50 = 15.0 nM 7.82 The compound was tested for its effective concentration required to reduce virus... 10866384
Human alphaherpesvirus 3 EC50 = 15.0 nM 7.82 Effective concentration required for reduction of plaque formation of Varicella-... 11212118
Human alphaherpesvirus 3 EC50 = 15.0 nM 7.82 Concentration required to give 50% inhibition of replication of VZV OKA in tissu... 14643358
Human alphaherpesvirus 3 EC50 = 15.0 nM 7.82 Evaluated for the anti-VZV activity, the concentration of compounds in uM requir... 11150169
HEL EC50 = 15.0 nM 7.82 Antiviral activity was measured as effective concentration required to reduce Va... 11549457
Human alphaherpesvirus 3 EC50 = 66.0 nM 7.18 Antiviral activity against TK+ VZV YS in HEL cells assessed as reduction of viru... 17622128
Human alphaherpesvirus 3 EC50 = 94.0 nM 7.03 Antiviral activity against TK+ VZV OKA in HEL cells assessed as reduction of vir... 17622128
Human betaherpesvirus 5 EC50 = 64000.0 nM 4.19 Antiviral activity against HCMV Davis in HEL cells assessed as reduction of viru... 17622128

Literature References

PubMed DOI Target Context # Activities
11549457 10.1016/s0960-894x(01)00471-1 HEL 6
11150169 10.1021/jm000210m Human alphaherpesvirus 3 6
10866384 10.1016/s0960-894x(00)00193-1 Human alphaherpesvirus 3 4
10579812 10.1021/jm990346o Human alphaherpesvirus 3 4
11212118 10.1016/s0960-894x(00)00672-7 Human alphaherpesvirus 3 4
17622128 10.1021/jm070210n Human alphaherpesvirus 3 4
10579812 10.1021/jm990346o HEL 2
17622128 10.1021/jm070210n HEL 2
17622128 10.1021/jm070210n Human betaherpesvirus 5 2
11212118 10.1016/s0960-894x(00)00672-7 HEL 2
17622128 10.1021/jm070210n Thymidine kinase 1
11150169 10.1021/jm000210m No relevant target 1
14643358 10.1016/j.bmcl.2003.08.028 Human alphaherpesvirus 3 1
14643358 10.1016/j.bmcl.2003.08.028 No relevant target 1
11212118 10.1016/s0960-894x(00)00672-7 No relevant target 1
10866384 10.1016/s0960-894x(00)00193-1 HEL 1
10866384 10.1016/s0960-894x(00)00193-1 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine