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Compound Detail

CHEMBL141419

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COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[te]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL141419
Phase Preclinical
Structure Type MOL
InChI Key OPCZQJWXLOJWEW-UHFFFAOYSA-N
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

519.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O2Te
MW 519.12

Activity Summary

Ki 8 meas. best 9.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(3) dopamine receptor
CHEMBL234
 Ki 9.17 9.17 0.7 1
Adrenergic receptor alpha-1
CHEMBL2094251
 Ki 7.82 7.82 15.0 1
D(4) dopamine receptor
CHEMBL219
 Ki 7.46 7.46 35.0 1
D(2) dopamine receptor
CHEMBL217
 Ki 7.41 7.305 39.0 2
5-hydroxytryptamine receptor 1A
CHEMBL214
 Ki 7.16 7.16 69.0 1
D(1A) dopamine receptor
CHEMBL2056
 Ki 6.42 6.42 380.0 1
Serotonin 2 (5-HT2) receptor
CHEMBL2095200
 Ki 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(3) dopamine receptor Ki = 0.68 nM 9.17 Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement. 12361386
Adrenergic receptor alpha-1 Ki = 15.0 nM 7.82 Displacement of [3H]- ketanserin from porcine Alpha-1 adrenergic receptor 12361386
D(4) dopamine receptor Ki = 35.0 nM 7.46 Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement. 12361386
D(2) dopamine receptor Ki = 39.0 nM 7.41 Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displ... 12361386
D(2) dopamine receptor Ki = 63.0 nM 7.2 Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displa... 12361386
5-hydroxytryptamine receptor 1A Ki = 69.0 nM 7.16 Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor 12361386
D(1A) dopamine receptor Ki = 380.0 nM 6.42 Binding affinity for porcine Dopamine receptor D1 by [3H]-SCH- 23390 displacemen... 12361386
Serotonin 2 (5-HT2) receptor Ki = 500.0 nM 6.3 Binding affinity for porcine 5-hydroxytryptamine 2 receptor using [3H]- ketanser... 12361386

Literature References

PubMed DOI Target Context # Activities
12361386 10.1021/jm025558r D(2) dopamine receptor 2
12361386 10.1021/jm025558r D(3) dopamine receptor 2
12361386 10.1021/jm025558r Dopamine receptors; D2 & D3 2
12361386 10.1021/jm025558r D(1A) dopamine receptor 1
12361386 10.1021/jm025558r D(4) dopamine receptor 1
12361386 10.1021/jm025558r 5-hydroxytryptamine receptor 1A 1
12361386 10.1021/jm025558r Serotonin 2 (5-HT2) receptor 1
12361386 10.1021/jm025558r Adrenergic receptor alpha-1 1
12361386 10.1021/jm025558r Dopamine receptors; D3 & D4 1

Data from ChEMBL 36 via Core Engine