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Compound Detail

CHEMBL1170180

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NC12CC3CC(C1)CC(F)(C3)C2

Basic Information

ChEMBL ID CHEMBL1170180
Phase Preclinical
Structure Type MOL
InChI Key USUQQGKBGPIRRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

169.2
MW (Da)
2.01
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.59
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 C10H16FN
MW 169.24
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.39

Activity Summary

Kd 1 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix protein 2
CHEMBL1932894
Kd 5.31 5.31 4860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix protein 2 Kd = 4860.0 nM 5.31 Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectr... 20570509

Literature References

PubMed DOI Target Context # Activities
20570509 10.1016/j.bmcl.2010.05.049 Matrix protein 2 1

Data from ChEMBL 36 via Core Engine