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Compound Detail

CHEMBL153847

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O=C(O)/C=C/C(=O)O.c1cnn(Nc2ccncc2)c1

Basic Information

ChEMBL ID CHEMBL153847
Phase Preclinical
Structure Type MOL
InChI Key LACNYBMZWJBWCU-WLHGVMLRSA-N
Parent Compound CHEMBL1181046
Active Moiety CHEMBL1181046
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

160.2
MW (Da)
1.15
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.72
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 C12H12N4O4
MW 276.25
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.78

Activity Summary

IC50 1 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