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Compound Detail

CHEMBL153156

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COc1cccc(S(=O)(=O)N2CCC[C@H]2CCN2CCC(C)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153156
Phase Preclinical
Structure Type MOL
InChI Key SIGPAXROBLPQJS-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.97
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.78
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 C19H30N2O3S
MW 366.53
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.64

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
 Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 10.0 nM 8.0 Binding affinity towards cloned human 5-hydroxytryptamine 7 receptor was determi... 14667218

Literature References

PubMed DOI Target Context # Activities
14667218 10.1021/jm030841r 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine