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Compound Detail

CHEMBL63201

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COc1ccc2cc(O)c(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2c1

Basic Information

ChEMBL ID CHEMBL63201
Phase Preclinical
Structure Type MOL
InChI Key FIQZKGVJJVFFQF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
5.58
ALogP
5
HBA
2
HBD
71.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClN2O3S
MW 410.88
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA polymerase catalytic subunit
CHEMBL4009
IC50 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA polymerase catalytic subunit IC50 = 6000.0 nM 5.22 Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase 10999475

Literature References

PubMed DOI Target Context # Activities
10999475 10.1016/s0960-894x(00)00402-9 DNA polymerase catalytic subunit 1

Data from ChEMBL 36 via Core Engine