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Compound Detail

CHEMBL1940446

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c1cnc2cc3[nH]cnc3cc2c1

Basic Information

ChEMBL ID CHEMBL1940446
Phase Preclinical
Structure Type MOL
InChI Key RSOUVUBPPHFRAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

169.2
MW (Da)
2.11
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7N3
MW 169.19
Aromatic Rings 3
Heavy Atoms 13
NP-Likeness -1.09

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
27161176 10.1016/j.ejmech.2016.03.080 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine