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

CHEMBL346387

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
Nc1cc(OC[C@H](CO)OCP(=O)(O)O)nc(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346387
Phase Preclinical
Structure Type MOL
InChI Key SDORNFBUOMQVCA-YFKPBYRVSA-N
7
Targets
15
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

294.2
MW (Da)
-1.47
ALogP
8
HBA
5
HBD
174.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H15N4O6P
MW 294.20
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.31

Activity Summary

EC50 9 meas. best 6.77
IC50 6 meas. best 10.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 IC50 10.85 10.85 0.0 1
Human alphaherpesvirus 2
CHEMBL370
 IC50 10.77 10.77 0.0 1
Human betaherpesvirus 5
CHEMBL371
 IC50 9.89 9.89 0.1 1
Human alphaherpesvirus 3
CHEMBL613132
 EC50 6.77 6.695 170.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.32 5.0933 4800.0 3
Human immunodeficiency virus 2
CHEMBL380
 EC50 4.85 4.85 14000.0 1
Cowpox virus
CHEMBL612672
 EC50 4.33 4.33 46200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 IC50 = 0.014 nM 10.85 Antiviral activity against HIV1 19112024
Human alphaherpesvirus 2 IC50 = 0.017 nM 10.77 Antiviral activity against Herpes simplex virus 2 19112024
Human betaherpesvirus 5 IC50 = 0.13 nM 9.89 Antiviral activity against Human cytomegalovirus 19112024
Human alphaherpesvirus 3 EC50 = 170.0 nM 6.77 Antiviral activity against OKA strain of VZV in HEL (human erythroleukemia) cell... 14584956
Human alphaherpesvirus 3 EC50 = 240.0 nM 6.62 Antiviral activity against 07/1 strain of VZV in HEL (human erythroleukemia) cel... 14584956
NON-PROTEIN TARGET EC50 = 4800.0 nM 5.32 Antiviral activity against KOS strain of HSV-1 in E6SM cells. 14584956
NON-PROTEIN TARGET EC50 = 6500.0 nM 5.19 Antiviral activity against vaccinia virus in HEL (human erythroleukemia) cells. 14584956
Human immunodeficiency virus 2 EC50 = 14000.0 nM 4.85 Antiviral activity against HIV-2 (ROD) in CEM (human leukemia) cells. 14584956
NON-PROTEIN TARGET EC50 = 17000.0 nM 4.77 Antiviral activity against G strain of HSV-2 in E6SM cells. 14584956
Cowpox virus EC50 = 46200.0 nM 4.33 Antiviral activity against Cowpox virus infected in Vero cells measured after 4 ... 36961984

Literature References

PubMed DOI Target Context # Activities
14584956 10.1021/jm030932o NON-PROTEIN TARGET 3
14584956 10.1021/jm030932o Cytomegalovirus 2
14584956 10.1021/jm030932o Human alphaherpesvirus 3 2
14584956 10.1021/jm030932o Human immunodeficiency virus 1 1
14584956 10.1021/jm030932o Human immunodeficiency virus 2 1
14584956 10.1021/jm030932o Moloney murine sarcoma virus 1
14584956 10.1021/jm030932o CCRF-CEM 1
19112024 10.1016/j.bmc.2008.11.075 Human alphaherpesvirus 1 1
19112024 10.1016/j.bmc.2008.11.075 Human alphaherpesvirus 3 1
19112024 10.1016/j.bmc.2008.11.075 Vaccinia virus 1
19112024 10.1016/j.bmc.2008.11.075 Human betaherpesvirus 5 1
19112024 10.1016/j.bmc.2008.11.075 Human immunodeficiency virus 1 1
19112024 10.1016/j.bmc.2008.11.075 Human alphaherpesvirus 2 1
36961984 10.1021/acs.jmedchem.3c00069 Cowpox virus 1

Data from ChEMBL 36 via Core Engine