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Compound Detail

CHEMBL241280

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Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21

Basic Information

ChEMBL ID CHEMBL241280
Phase Preclinical
Structure Type MOL
InChI Key NDFDVDHMWQFTIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.44
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.68
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 C18H17FN2O
MW 296.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.37

Activity Summary

Ki 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 46.0 nM 7.34 Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells 17317171

Literature References

PubMed DOI Target Context # Activities
17317171 10.1016/j.bmcl.2007.01.093 5-hydroxytryptamine receptor 7 1
17317171 10.1016/j.bmcl.2007.01.093 Muscarinic acetylcholine receptor M4 1
17317171 10.1016/j.bmcl.2007.01.093 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine