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Compound Detail

CHEMBL276255

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C[C@H]1CCCN(CC[C@H](C)N(C)S(=O)(=O)c2cccc3ccccc23)C1

Basic Information

ChEMBL ID CHEMBL276255
Phase Preclinical
Structure Type MOL
InChI Key XZYWRBPKJXHPIN-ROUUACIJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.6
MW (Da)
3.97
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N2O2S
MW 374.55
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.20

Activity Summary

Ki 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9513592 10.1021/jm970519e 5-hydroxytryptamine receptor 7 1
10843226 10.1016/s0960-894x(00)00166-9 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine