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Compound Detail

CHEMBL2012937

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O=C(CCCCCN1CCOCC1)Nc1ccc(-c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012937
Phase Preclinical
Structure Type MOL
InChI Key PKCLBDSDKDRNJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
3.58
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N3O2
MW 353.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
22410083 10.1016/j.bmcl.2012.02.052 Neuronal acetylcholine receptor subunit alpha-7 3
22410083 10.1016/j.bmcl.2012.02.052 Neuronal acetylcholine receptor; alpha4/beta2 1
22410083 10.1016/j.bmcl.2012.02.052 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine