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Compound Detail

CHEMBL2078948

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C1CCC2(CC1)CCNCC2

Basic Information

ChEMBL ID CHEMBL2078948
Phase Preclinical
Structure Type MOL
InChI Key LIZKZVQBLDHKCY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

153.3
MW (Da)
2.32
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.56
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 C10H19N
MW 153.27
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.53

Activity Summary

IC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix protein 2
CHEMBL1932894
IC50 6.05 6.05 900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix protein 2 IC50 = 900.0 nM 6.05 Inhibition of wild type influenza A virus A/Udorn/72 matrix protein 2 expressed ... 38330869

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
38330869 10.1016/j.ejmech.2024.116172 Matrix protein 2 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine