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Compound Detail

CHEMBL394024

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CN(Cc1cc2c(s1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)CC(O)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL394024
Phase Preclinical
Structure Type MOL
InChI Key FYKIEHVSZCLNCN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

497.0
MW (Da)
3.74
ALogP
7
HBA
2
HBD
87.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClN4O3S
MW 497.02
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 250.0 nM 6.6 Inhibition of human cytomegalovirus DNA polymerase 17513108

Literature References

PubMed DOI Target Context # Activities
17513108 10.1016/j.bmcl.2007.05.010 Unchecked 1
17513108 10.1016/j.bmcl.2007.05.010 Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine