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Compound Detail

CHEMBL585009

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O=c1cccc2n1CC1CC2CN(/N=N/c2ccc(Cl)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL585009
Phase Preclinical
Structure Type MOL
InChI Key SWTPPCDXKFQWFH-FMQUCBEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
3.62
ALogP
4
HBA
0
HBD
50.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN4O
MW 328.80
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.78

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 Poliovirus 1 1
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 MT4 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