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Compound Detail

CHEMBL323901

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C1CNC(C23CC4CC(CC(C4)C2)C3)C1

Basic Information

ChEMBL ID CHEMBL323901
Phase Preclinical
Structure Type MOL
InChI Key YVRRAISBZUMEJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
2.95
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23N
MW 205.34
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.01

Activity Summary

Kd 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix protein 2
CHEMBL1932894
Kd 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix protein 2 Kd = 510.0 nM 6.29 Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectr... 20570509

Literature References

PubMed DOI Target Context # Activities
8765514 10.1021/jm950891z NON-PROTEIN TARGET 2
8765514 10.1021/jm950891z MDCK 2
8765514 10.1021/jm950891z Human alphaherpesvirus 1 2
8765514 10.1021/jm950891z Vesicular stomatitis virus 2
8765514 10.1021/jm950891z Coxsackievirus B4 2
8765514 10.1021/jm950891z Human alphaherpesvirus 3 2
20570509 10.1016/j.bmcl.2010.05.049 Matrix protein 2 1
8765514 10.1021/jm950891z HeLa 1
8765514 10.1021/jm950891z HEF 1
8765514 10.1021/jm950891z Vero 1
8765514 10.1021/jm950891z Human immunodeficiency virus 2 1
8765514 10.1021/jm950891z Human immunodeficiency virus 1 1
8765514 10.1021/jm950891z Human betaherpesvirus 5 1
8765514 10.1021/jm950891z Mammalian orthoreovirus 1 1
8765514 10.1021/jm950891z Semliki Forest virus 1
8765514 10.1021/jm950891z Sindbis virus 1
8765514 10.1021/jm950891z Enterovirus C 1
8765514 10.1021/jm950891z Vaccinia virus 1
8765514 10.1021/jm950891z Human alphaherpesvirus 2 1
8765514 10.1021/jm950891z Human respirovirus 3 1

Data from ChEMBL 36 via Core Engine