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Compound Detail

CHEMBL462520

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CN(Cc1ccccc1)CC12CC3CC(CC1C3)C2

Basic Information

ChEMBL ID CHEMBL462520
Phase Preclinical
Structure Type MOL
InChI Key PMOPTUYWJMKDDN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

255.4
MW (Da)
3.94
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N
MW 255.41
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18954995 10.1016/j.bmc.2008.10.028 Glutamate NMDA receptor 2
18954995 10.1016/j.bmc.2008.10.028 Human alphaherpesvirus 1 1
18954995 10.1016/j.bmc.2008.10.028 Human alphaherpesvirus 2 1
18954995 10.1016/j.bmc.2008.10.028 Vaccinia virus 1
18954995 10.1016/j.bmc.2008.10.028 Feline coronavirus 1
18954995 10.1016/j.bmc.2008.10.028 Human respirovirus 3 1
18954995 10.1016/j.bmc.2008.10.028 Respiratory syncytial virus 1
18954995 10.1016/j.bmc.2008.10.028 Vesicular stomatitis virus 1
18954995 10.1016/j.bmc.2008.10.028 Sindbis virus 1
18954995 10.1016/j.bmc.2008.10.028 Punta Toro virus 1
18954995 10.1016/j.bmc.2008.10.028 Coxsackievirus B4 1
18954995 10.1016/j.bmc.2008.10.028 Mammalian orthoreovirus 1 1
18954995 10.1016/j.bmc.2008.10.028 Unchecked 1

Data from ChEMBL 36 via Core Engine