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Compound Detail

CHEMBL1940445

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O=C(CCl)Cn1nnc2c(Cl)c3ncccc3cc21

Basic Information

ChEMBL ID CHEMBL1940445
Phase Preclinical
Structure Type MOL
InChI Key OYKOGMJXEDBDOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

295.1
MW (Da)
2.44
ALogP
5
HBA
0
HBD
60.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8Cl2N4O
MW 295.13
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
22047799 10.1016/j.bmc.2011.10.009 NON-PROTEIN TARGET 2
22047799 10.1016/j.bmc.2011.10.009 MT4 1
22047799 10.1016/j.bmc.2011.10.009 Human immunodeficiency virus 1 1
22047799 10.1016/j.bmc.2011.10.009 ADMET 1
22047799 10.1016/j.bmc.2011.10.009 BHK-21 1
22047799 10.1016/j.bmc.2011.10.009 Yellow fever virus 1
22047799 10.1016/j.bmc.2011.10.009 Reovirus sp. 1
22047799 10.1016/j.bmc.2011.10.009 Vero 1
22047799 10.1016/j.bmc.2011.10.009 Coxsackievirus B5 1
22047799 10.1016/j.bmc.2011.10.009 Poliovirus 1 1
22047799 10.1016/j.bmc.2011.10.009 Human orthopneumovirus 1
22047799 10.1016/j.bmc.2011.10.009 Vesicular stomatitis Indiana virus 1
22047799 10.1016/j.bmc.2011.10.009 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine