Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL508777

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC12CC3CC1(C)CC3(CN)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL508777
Phase Preclinical
Structure Type MOL
InChI Key WEPGXLBMDZKVHV-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

165.3
MW (Da)
2.16
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.63
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 C11H19N
MW 165.28
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.26

Activity Summary

IC50 3 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix protein 2
CHEMBL1932894
 IC50 5.14 5.14 7200.0 1
Unchecked
CHEMBL612545
 IC50 5.14 5.14 7200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix protein 2 IC50 = 7200.0 nM 5.14 Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expresse... 21466220
Unchecked IC50 = 7200.0 nM 5.14 Inhibition of Influenza A virus Udorn/72 wild type M2 ion channel expressed in X... 24237039

Literature References

PubMed DOI Target Context # Activities
21466220 10.1021/jm101334y Matrix protein 2 6
24237039 10.1021/jm401340p Matrix protein 2 4
18954995 10.1016/j.bmc.2008.10.028 Glutamate NMDA receptor 2
24237039 10.1021/jm401340p Unchecked 2
24237039 10.1021/jm401340p Human alphaherpesvirus 1 1
18954995 10.1016/j.bmc.2008.10.028 Trypanosoma brucei 1
24237039 10.1021/jm401340p Mammalian orthoreovirus 1 1
21466220 10.1021/jm101334y MDCK 1
21466220 10.1021/jm101334y Influenza A virus 1
18954995 10.1016/j.bmc.2008.10.028 Unchecked 1
18954995 10.1016/j.bmc.2008.10.028 Mammalian orthoreovirus 1 1
18954995 10.1016/j.bmc.2008.10.028 Coxsackievirus B4 1
18954995 10.1016/j.bmc.2008.10.028 Punta Toro virus 1
18954995 10.1016/j.bmc.2008.10.028 Sindbis virus 1
18954995 10.1016/j.bmc.2008.10.028 Vesicular stomatitis virus 1
18954995 10.1016/j.bmc.2008.10.028 Respiratory syncytial virus 1
18954995 10.1016/j.bmc.2008.10.028 Human respirovirus 3 1
18954995 10.1016/j.bmc.2008.10.028 Feline coronavirus 1
18954995 10.1016/j.bmc.2008.10.028 Vaccinia virus 1
18954995 10.1016/j.bmc.2008.10.028 Human alphaherpesvirus 2 1

Data from ChEMBL 36 via Core Engine