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

CHEMBL3329704

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
C1=C2CCCN[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3329704
Phase Preclinical
Structure Type MOL
InChI Key SKOLRLSBMUGVOY-GBJTYRQASA-N
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

232.4
MW (Da)
2.17
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H24N2
MW 232.37
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.51

Activity Summary

EC50 10 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.92 5.86 1200.0 2
Human immunodeficiency virus 1
CHEMBL378
 EC50 5.76 5.76 1750.0 2
Hepatitis C virus
CHEMBL379
 EC50 5.37 5.37 4320.0 1
Marburgvirus
CHEMBL4296577
 EC50 4.99 4.99 10200.0 1
Ebolavirus
CHEMBL4434621
 EC50 4.91 4.91 12400.0 1
Influenza A virus
CHEMBL613740
 EC50 4.84 4.84 14500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1200.0 nM 5.92 Inhibition of HIV1 NL4-3 Env-induced cell-cell fusion between viral envelope exp... 26985308
Unchecked EC50 = 1600.0 nM 5.8 Inhibition of HIV1 YU2 gp120-induced cell-cell fusion between viral envelope exp... 26985308
Human immunodeficiency virus 1 EC50 = 1750.0 nM 5.76 Antiviral activity against HIV1 NL4-3 infected in human MT4 cells assessed as re... 26985308
Human immunodeficiency virus 1 EC50 = 1750.0 nM 5.76 Antiviral activity against HIV1 NL4-3 infected in human MT4 cells after 3 days b... 29152054
Hepatitis C virus EC50 = 4320.0 nM 5.37 Antiviral activity against HCV J6/JFH/JC-1 infected in human Huh7.5 cells assess... 29232582
Marburgvirus EC50 = 10200.0 nM 4.99 Antiviral activity against HIV1 pseudotyped MARV infected in HEK293T cells asses... 29494844
Ebolavirus EC50 = 12400.0 nM 4.91 Antiviral activity against HIV1 pseudotyped EBOV infected in HEK293T cells asses... 29494844
Influenza A virus EC50 = 14500.0 nM 4.84 Antiviral activity against Influenza A virus (A/Puerto Rico/8/34(H1N1)) infected... 25147619
Influenza A virus EC50 = 14500.0 nM 4.84 Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... 29152054

Literature References

PubMed DOI Target Context # Activities
26985308 10.1021/acsmedchemlett.5b00339 Unchecked 4
26985308 10.1021/acsmedchemlett.5b00339 Human immunodeficiency virus 1 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
29232582 10.1016/j.ejmech.2017.12.002 Unchecked 2
29494844 10.1016/j.ejmech.2018.02.061 Unchecked 2
29494844 10.1016/j.ejmech.2018.02.061 Vesicular stomatitis virus 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
29232582 10.1016/j.ejmech.2017.12.002 Hepatitis C virus 1
29494844 10.1016/j.ejmech.2018.02.061 HEK-293T 1
29494844 10.1016/j.ejmech.2018.02.061 Ebolavirus 1
29494844 10.1016/j.ejmech.2018.02.061 Marburgvirus 1
25147619 10.1021/ml500236n MDCK 1
29152054 10.1021/acsmedchemlett.7b00376 Human immunodeficiency virus 1 1
29152054 10.1021/acsmedchemlett.7b00376 Influenza A virus 1
29152054 10.1021/acsmedchemlett.7b00376 MDCK 1
29152054 10.1021/acsmedchemlett.7b00376 Unchecked 1
29152054 10.1021/acsmedchemlett.7b00376 MT4 1
26985308 10.1021/acsmedchemlett.5b00339 MT4 1

Data from ChEMBL 36 via Core Engine