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Compound Detail

CHEMBL2273057

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Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1

Basic Information

ChEMBL ID CHEMBL2273057
Phase Preclinical
Structure Type MOL
InChI Key JEYPPTDLPKRWPQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
2.22
ALogP
7
HBA
2
HBD
98.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N7S
MW 323.39
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -2.57

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7763889 10.1271/bbb.57.989 Sagittaria latifolia 3
7763889 10.1271/bbb.57.989 Schoenoplectus acutus 3
7763889 10.1271/bbb.57.989 Echinochloa crus-galli 3
7763889 10.1271/bbb.57.989 Oryza sativa 3
7763889 10.1271/bbb.57.989 Convolvulaceae 3
7763889 10.1271/bbb.57.989 Avena sativa 3
7763889 10.1271/bbb.57.989 Abutilon theophrasti 2
29396363 10.1016/j.ejmech.2017.11.032 rRNA adenine N-6-methyltransferase 2
7763889 10.1271/bbb.57.989 Spodoptera litura 1
7763889 10.1271/bbb.57.989 Culex pipiens pallens 1
7763889 10.1271/bbb.57.989 Tetranychus cinnabarinus 1
7763889 10.1271/bbb.57.989 Musca domestica 1
7763889 10.1271/bbb.57.989 Rhizoctonia solani 1
7763889 10.1271/bbb.57.989 Helminthosporium 1
29396363 10.1016/j.ejmech.2017.11.032 Escherichia coli 1

Data from ChEMBL 36 via Core Engine