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

CHEMBL473894

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
OC[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473894
Phase Preclinical
Structure Type MOL
InChI Key NMAMPJIAXSGTLN-GWOFURMSSA-N
2
Targets
34
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

398.0
MW (Da)
1.72
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.72
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 C12H11BrCl2N2O4
MW 398.04
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.41

Activity Summary

IC50 32 meas. best 6.52
EC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human betaherpesvirus 5
CHEMBL371
 IC50 6.52 6.28 300.0 4
HFF
CHEMBL614071
 IC50 6.52 5.7164 300.0 14
Human betaherpesvirus 5
CHEMBL371
 EC50 6.46 6.395 350.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human betaherpesvirus 5 IC50 = 300.0 nM 6.52 Compound was tested for antiviral activity against HCMV in viral cytopathic effe... 10882374
HFF IC50 = 300.0 nM 6.52 Compound was tested for antiviral activity against wild-type Towne virus of HCMV... 10882374
HFF IC50 = 340.0 nM 6.47 Compound was tested for antiviral activity against wild-type AD169 virus of HCMV... 10882374
Human betaherpesvirus 5 EC50 = 350.0 nM 6.46 Antiviral activity against ganciclovir-sensitive HCMV infected in HFF assessed a... 19786605
HFF IC50 = 410.0 nM 6.39 Compound was tested for antiviral activity against 2916 strain of HCMV in plaque... 10882374
Human betaherpesvirus 5 EC50 = 470.0 nM 6.33 Antiviral activity against ganciclovir-resistant HCMV infected in HFF assessed a... 19786605
Human betaherpesvirus 5 IC50 = 520.0 nM 6.28 Compound was tested for antiviral activity against HCMV in DNA hybridization ass... 10882374
HFF IC50 = 700.0 nM 6.16 Inhibitory concentration required against human cytomegalovirus (HCMV) expressed... 15509175
Human betaherpesvirus 5 IC50 = 700.0 nM 6.16 Inhibitory concentration required against human cytomegalovirus (HCMV) expressed... 15509174
HFF IC50 = 700.0 nM 6.16 Inhibitory concentration required against human cytomegalovirus (HCMV) expressed... 15509176
Human betaherpesvirus 5 IC50 = 700.0 nM 6.16 Concentration required to inhibit plaque formation in human cytomegalovirus cult... 15509173
HFF IC50 = 700.0 nM 6.16 Compound was tested for antiviral activity against Towne strain of HCMV in a pla... 10882374
HFF IC50 = 700.0 nM 6.16 Compound was tested for antiviral activity against human cytomegalovirus (HCMV) ... 10882375
HFF IC50 = 990.0 nM 6.0 Inhibitory concentration required against human cytomegalovirus (HCMV) wild type... 15509176
HFF IC50 = 1700.0 nM 5.77 Compound was tested for antiviral activity against wild-type Towne virus of HCMV... 10882374
HFF IC50 = 6700.0 nM 5.17 Inhibitory concentration required against human cytomegalovirus (HCMV) r56 strai... 15509176
HFF IC50 = 8000.0 nM 5.1 Compound was tested for antiviral activity against C-4 Towne virus of HCMV in yi... 10882374
HFF IC50 = 12000.0 nM 4.92 Inhibitory concentration required against human cytomegalovirus (HCMV) D10 strai... 15509176
HFF IC50 = 29000.0 nM 4.54 Inhibitory concentration required against human cytomegalovirus (HCMV) C4 strain... 15509176
HFF IC50 = 31000.0 nM 4.51 Compound was tested for antiviral activity against C-4 Towne virus of HCMV in pl... 10882374

Literature References

PubMed DOI Target Context # Activities
19786605 10.1128/aac.00809-09 Human betaherpesvirus 5 9
10882374 10.1021/jm990195p HFF 9
15509176 10.1021/jm0400606 HFF 6
10882375 10.1021/jm990219s HFF 3
19112024 10.1016/j.bmc.2008.11.075 Human betaherpesvirus 6 2
10882374 10.1021/jm990195p Human betaherpesvirus 5 2
19786605 10.1128/aac.00809-09 ADMET 2
19786605 10.1128/aac.00809-09 Unchecked 2
15509176 10.1021/jm0400606 ADMET 2
15509175 10.1021/jm040032n HFF 2
15509175 10.1021/jm040032n ADMET 2
15509173 10.1021/jm040016q KB 1
15509174 10.1021/jm0400146 Human alphaherpesvirus 1 1
15509174 10.1021/jm0400146 Human betaherpesvirus 5 1
15509173 10.1021/jm040016q HFF 1
15509173 10.1021/jm040016q Human alphaherpesvirus 1 1
15509173 10.1021/jm040016q Human betaherpesvirus 5 1
10882374 10.1021/jm990195p KB 1
10882374 10.1021/jm990195p Human alphaherpesvirus 1 1
10882375 10.1021/jm990219s ADMET 1

Data from ChEMBL 36 via Core Engine