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Compound Detail

CHEMBL134238

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Clc1nc2cc(Cl)c(Cl)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134238
Phase Preclinical
Structure Type MOL
InChI Key SUQYOUJCBGMSLV-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

221.5
MW (Da)
3.52
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H3Cl3N2
MW 221.47
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.97

Activity Summary

IC50 8 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human betaherpesvirus 5
CHEMBL371
 IC50 5.19 5.19 6400.0 2
KB
CHEMBL398
 IC50 4.72 4.72 19000.0 2
HFF
CHEMBL614071
 IC50 4.62 4.62 24000.0 2
Human alphaherpesvirus 1
CHEMBL377
 IC50 4.29 4.29 51000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human betaherpesvirus 5 IC50 = 6400.0 nM 5.19 Compound was evaluated for the antiviral activity against HCMV determined by usi... 7562945
Human betaherpesvirus 5 IC50 = 6400.0 nM 5.19 Concentration required for 50% inhibition of HCMV replication was measured using... 9057868
KB IC50 = 19000.0 nM 4.72 Compound was evaluated for the inhibition of KB cell growth determined in quadru... 7562945
KB IC50 = 19000.0 nM 4.72 Inhibition of KB cell growth was determined 9057868
HFF IC50 = 24000.0 nM 4.62 Compound was evaluated for the visual cytotoxicity scored on HFF cells at time o... 7562945
HFF IC50 = 24000.0 nM 4.62 Visual cytotoxicity was scored on HFF cells at time of HCMV plaque enumeration 9057868
Human alphaherpesvirus 1 IC50 = 51000.0 nM 4.29 Compound was evaluated for the antiviral activity against HSV-1 determined by us... 7562945
Human alphaherpesvirus 1 IC50 = 51000.0 nM 4.29 Antiviral activity was measured by plaque assay against HSV-1 virus by ELISA met... 9057868

Literature References

PubMed DOI Target Context # Activities
7562945 10.1021/jm00020a025 Human betaherpesvirus 5 1
7562945 10.1021/jm00020a025 Human alphaherpesvirus 1 1
7562945 10.1021/jm00020a025 HFF 1
7562945 10.1021/jm00020a025 KB 1
9057868 10.1021/jm960462g Human betaherpesvirus 5 1
9057868 10.1021/jm960462g Human alphaherpesvirus 1 1
9057868 10.1021/jm960462g HFF 1
9057868 10.1021/jm960462g KB 1

Data from ChEMBL 36 via Core Engine