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Compound Detail

CHEMBL1504281

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O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL1504281
Phase Preclinical
Structure Type MOL
InChI Key YIJPEFNZZMASKU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.3
MW (Da)
5.46
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14Cl2N4OS
MW 429.33
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.46

Activity Summary

EC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Measles morbillivirus
CHEMBL613738
EC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Measles morbillivirus EC50 = 700.0 nM 6.16 Antiviral activity against Measles virus 22328961

Literature References

PubMed DOI Target Context # Activities
22328961 10.1021/ml200125r Measles morbillivirus 1

Data from ChEMBL 36 via Core Engine