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Compound Detail

CHEMBL348716

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c1ccc2nn(Nc3ccncc3)cc2c1

Basic Information

ChEMBL ID CHEMBL348716
Phase Preclinical
Structure Type MOL
InChI Key HAJXHZRMFWRJQH-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
2.31
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.71
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 C12H10N4
MW 210.24
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.16

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8558529 10.1021/jm9506433 Muscarinic acetylcholine receptor 3
8558529 10.1021/jm9506433 Acetylcholinesterase 1
8558529 10.1021/jm9506433 Sodium-dependent noradrenaline transporter 1
8558529 10.1021/jm9506433 Mus musculus 1

Data from ChEMBL 36 via Core Engine