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Compound Detail

CHEMBL3770480

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Cl.NC1CCC2(CC1)C1CC3CC(C1)CC2C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770480
Phase Preclinical
Structure Type MOL
InChI Key RSQLILFNXACYFU-UHFFFAOYSA-N
Parent Compound CHEMBL3088159
Active Moiety CHEMBL3088159
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

219.4
MW (Da)
3.33
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.66
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 C15H26ClN
MW 255.83
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.96

Activity Summary

IC50 6 meas. best 6.52
EC50 2 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix protein 2
CHEMBL2052
 IC50 6.52 5.9975 300.0 4
Influenza A virus
CHEMBL613740
 EC50 6.52 6.135 300.0 2
Unchecked
CHEMBL612545
 IC50 5.25 5.25 5600.0 1
Matrix protein 2
CHEMBL1932894
 IC50 4.73 4.73 18700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Influenza A virus EC50 = 300.0 nM 6.52 Antiviral activity against influenza A virus A/Udorn/72 (H3N2) harboring wild ty... 38330869
Matrix protein 2 IC50 = 300.0 nM 6.52 Inhibition of Influenza A virus expressing M2 proton channel V27A mutant infecte... 26771709
Matrix protein 2 IC50 = 300.0 nM 6.52 Inhibition of influenza A virus A/Udorn/72 matrix protein 2 V27A mutant expresse... 38330869
Matrix protein 2 IC50 = 600.0 nM 6.22 Inhibition of Influenza A virus expressing M2 proton channel L26F mutant infecte... 26771709
Influenza A virus EC50 = 1800.0 nM 5.75 Antiviral activity against influenza A virus A/Udorn/72 (H3N2) harboring M2 V27A... 38330869
Unchecked IC50 = 5600.0 nM 5.25 Inhibition of influenza A virus A/Udorn/72 matrix protein 2 L26F mutant expresse... 38330869
Matrix protein 2 IC50 = 18700.0 nM 4.73 Inhibition of Influenza A virus wild type M2 proton channel infected in Xenopus ... 26771709
Matrix protein 2 IC50 = 18700.0 nM 4.73 Inhibition of wild type influenza A virus A/Udorn/72 matrix protein 2 expressed ... 38330869

Literature References

PubMed DOI Target Context # Activities
26771709 10.1021/acs.jmedchem.5b01910 Matrix protein 2 3
38330869 10.1016/j.ejmech.2024.116172 Matrix protein 2 2
38330869 10.1016/j.ejmech.2024.116172 Influenza A virus 2
26771709 10.1021/acs.jmedchem.5b01910 Influenza A virus 1
38330869 10.1016/j.ejmech.2024.116172 Unchecked 1
38330869 10.1016/j.ejmech.2024.116172 MDCK 1

Data from ChEMBL 36 via Core Engine