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Compound Detail

CHEMBL5286364

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CCN1CCC(Cc2ccc(Cl)cc2)(C(=O)/C=C(\O)C(=O)O)CC1

Basic Information

ChEMBL ID CHEMBL5286364
Phase Preclinical
Structure Type MOL
InChI Key RKVUWIUUOBNFHA-PTNGSMBKSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.8
MW (Da)
3.08
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22ClNO4
MW 351.83
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.11

Activity Summary

IC50 1 meas. best 5.96
Ki 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
Ki 7.05 7.05 90.0 1
Influenza A virus
CHEMBL613740
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34591488 10.1021/acs.jmedchem.1c01215 Polymerase acidic protein 1
34591488 10.1021/acs.jmedchem.1c01215 Influenza A virus 1

Data from ChEMBL 36 via Core Engine