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Compound Detail

CHEMBL2409791

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CCCOc1ccc(C(=O)Nc2cccc(Nc3ccc(Cl)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2409791
Phase Preclinical
Structure Type MOL
InChI Key WILKYHMAWJKPAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
5.52
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClN3O2
MW 381.86
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
23757208 10.1016/j.bmc.2013.03.082 Neuronal acetylcholine receptor; alpha3/beta4 2
23757208 10.1016/j.bmc.2013.03.082 Neuronal acetylcholine receptor; alpha4/beta2 2
23757208 10.1016/j.bmc.2013.03.082 Unchecked 1

Data from ChEMBL 36 via Core Engine