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

CHEMBL1258897

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
CC(C)(C)C(=O)OCOP(=O)(O)CO[C@H](CO)Cn1cnc2c(N)nc(N)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1258897
Phase Preclinical
Structure Type MOL
InChI Key KOTPMDMFHKRZJS-VIFPVBQESA-N
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
0.07
ALogP
12
HBA
4
HBD
197.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N6O7P
MW 432.37
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.19

Activity Summary

EC50 9 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human betaherpesvirus 5
CHEMBL371
 EC50 6.47 5.6 340.0 4
Vaccinia virus
CHEMBL613493
 EC50 5.79 5.79 1630.0 1
Human alphaherpesvirus 1
CHEMBL377
 EC50 5.56 5.545 2760.0 2
Human alphaherpesvirus 2
CHEMBL370
 EC50 5.5 5.5 3150.0 1
Human betaherpesvirus 6
CHEMBL613496
 EC50 4.51 4.51 30600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human betaherpesvirus 5 EC50 = 340.0 nM 6.47 Antiviral activity against acyclovir-resistant VZV 07/1 infected in HEL assessed... 20809641
Human betaherpesvirus 5 EC50 = 790.0 nM 6.1 Antiviral activity against acyclovir-resistant VZV OKA infected in HEL assessed ... 20809641
Vaccinia virus EC50 = 1630.0 nM 5.79 Antiviral activity against Vaccinia virus infected in HEL assessed as reduction ... 20809641
Human alphaherpesvirus 1 EC50 = 2760.0 nM 5.56 Antiviral activity against HSV1 KOS infected in HEL assessed as reduction in vir... 20809641
Human alphaherpesvirus 1 EC50 = 2950.0 nM 5.53 Antiviral activity against acyclovir-resistant HSV1 KOS infected in HEL assessed... 20809641
Human alphaherpesvirus 2 EC50 = 3150.0 nM 5.5 Antiviral activity against acyclovir-resistant HSV2 strain G infected in HEL ass... 20809641
Human betaherpesvirus 5 EC50 = 11600.0 nM 4.94 Antiviral activity against Human cytomegalovirus Davis infected in HEL assessed ... 20809641
Human betaherpesvirus 5 EC50 = 12900.0 nM 4.89 Antiviral activity against Human cytomegalovirus AD169 infected in HEL assessed ... 20809641
Human betaherpesvirus 6 EC50 = 30600.0 nM 4.51 Antiviral activity against Human herpesvirus 6 infected in HEL assessed as reduc... 20809641

Literature References

PubMed DOI Target Context # Activities
20809641 10.1021/jm901828c Human betaherpesvirus 5 4
20809641 10.1021/jm901828c Human alphaherpesvirus 1 2
20809641 10.1021/jm901828c HEL 2
20809641 10.1021/jm901828c Human alphaherpesvirus 2 1
20809641 10.1021/jm901828c ADMET 1
20809641 10.1021/jm901828c Human betaherpesvirus 6 1
20809641 10.1021/jm901828c Vaccinia virus 1

Data from ChEMBL 36 via Core Engine