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Compound Detail

CHEMBL573607

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CN(C)CCCNc1ccc(/N=N/c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL573607
Phase Preclinical
Structure Type MOL
InChI Key LXWAALKAZPHUJV-FMQUCBEESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
4.47
ALogP
4
HBA
1
HBD
40.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N4
MW 282.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.17

Activity Summary

EC50 2 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bovine viral diarrhea virus 1
CHEMBL612571
EC50 5.8 5.8 1600.0 1
Respiratory syncytial virus
CHEMBL612679
EC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19482481 10.1016/j.bmc.2009.05.020 ADMET 2
19482481 10.1016/j.bmc.2009.05.020 Human alphaherpesvirus 1 1
19482481 10.1016/j.bmc.2009.05.020 Respiratory syncytial virus 1
19482481 10.1016/j.bmc.2009.05.020 Coxsackievirus B2 1
19482481 10.1016/j.bmc.2009.05.020 Vero 1
19482481 10.1016/j.bmc.2009.05.020 Mammalian orthoreovirus 1 1
19482481 10.1016/j.bmc.2009.05.020 Yellow fever virus 1
19482481 10.1016/j.bmc.2009.05.020 Bovine viral diarrhea virus 1 1
19482481 10.1016/j.bmc.2009.05.020 MT4 1
19482481 10.1016/j.bmc.2009.05.020 Poliovirus 1 1
19482481 10.1016/j.bmc.2009.05.020 Human immunodeficiency virus 1 1
19482481 10.1016/j.bmc.2009.05.020 Vesicular stomatitis virus 1
19482481 10.1016/j.bmc.2009.05.020 Vaccinia virus 1

Data from ChEMBL 36 via Core Engine