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Compound Detail

CHEMBL4580959

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CN1CCN(c2nc(N)nc(C[Se]c3ccccc3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580959
Phase Preclinical
Structure Type MOL
InChI Key OJCZIDQMQPAEJE-UHFFFAOYSA-N
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

363.3
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N6Se
MW 363.33

Activity Summary

Ki 9 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
 Ki 6.62 6.62 242.0 2
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 6.48 6.435 329.0 2
D(2) dopamine receptor
CHEMBL217
 Ki 6.3 6.3 506.0 1
5-hydroxytryptamine receptor 7
CHEMBL3155
 Ki 5.63 5.615 2329.0 2
5-hydroxytryptamine receptor 1A
CHEMBL214
 Ki 5.5 5.34 3176.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 6 Ki = 242.0 nM 6.62 Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incub... 31229876
5-hydroxytryptamine receptor 6 Ki = 242.0 nM 6.62 Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin) assessed as inhibi... 38190615
5-hydroxytryptamine receptor 2A Ki = 329.0 nM 6.48 Displacement of [3H]-Ketanserin from 5-HT2A receptor (unknown origin) assessed a... 38190615
5-hydroxytryptamine receptor 2A Ki = 406.0 nM 6.39 Displacement of [3H]-Ketanserin from human 5-HT2A expressed in CHO-K1 cells incu... 31229876
D(2) dopamine receptor Ki = 506.0 nM 6.3 Displacement of [3H]-raclopride from human D2L receptor expressed in human HEK29... 31229876
5-hydroxytryptamine receptor 7 Ki = 2329.0 nM 5.63 Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells asse... 31229876
5-hydroxytryptamine receptor 7 Ki = 2521.0 nM 5.6 Displacement of [3H]-5-CT from 5-HT7 receptor (unknown origin) assessed as inhib... 38190615
5-hydroxytryptamine receptor 1A Ki = 3176.0 nM 5.5 Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells... 31229876
5-hydroxytryptamine receptor 1A Ki = 6647.0 nM 5.18 Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin) assessed as... 38190615

Literature References

PubMed DOI Target Context # Activities
38190615 10.1021/acs.jmedchem.3c02148 Unchecked 3
38190615 10.1021/acs.jmedchem.3c02148 5-hydroxytryptamine receptor 6 2
31229876 10.1016/j.ejmech.2019.06.022 5-hydroxytryptamine receptor 6 1
31229876 10.1016/j.ejmech.2019.06.022 D(2) dopamine receptor 1
31229876 10.1016/j.ejmech.2019.06.022 5-hydroxytryptamine receptor 1A 1
31229876 10.1016/j.ejmech.2019.06.022 5-hydroxytryptamine receptor 2A 1
31229876 10.1016/j.ejmech.2019.06.022 5-hydroxytryptamine receptor 7 1
38190615 10.1021/acs.jmedchem.3c02148 5-hydroxytryptamine receptor 1A 1
38190615 10.1021/acs.jmedchem.3c02148 5-hydroxytryptamine receptor 2A 1
38190615 10.1021/acs.jmedchem.3c02148 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine