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Compound Detail

CHEMBL237143

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N#Cc1ccc(-c2nc3cccnc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL237143
Phase Preclinical
Structure Type MOL
InChI Key SBEHOQVAOUNCSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
2.50
ALogP
3
HBA
1
HBD
65.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8N4
MW 220.24
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
25014745 10.1016/j.ejmech.2014.07.011 NON-PROTEIN TARGET 4
25014745 10.1016/j.ejmech.2014.07.011 ADMET 3
17933533 10.1016/j.bmcl.2007.09.076 Aurora kinase A 1
25014745 10.1016/j.ejmech.2014.07.011 Human immunodeficiency virus 1 1
25014745 10.1016/j.ejmech.2014.07.011 MT4 1
25014745 10.1016/j.ejmech.2014.07.011 Yellow fever virus 1
25014745 10.1016/j.ejmech.2014.07.011 Coxsackievirus B5 1
25014745 10.1016/j.ejmech.2014.07.011 Human poliovirus 1 strain Sabin 1
25014745 10.1016/j.ejmech.2014.07.011 Vesicular stomatitis Indiana virus 1
25014745 10.1016/j.ejmech.2014.07.011 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine