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Compound Detail

CHEMBL163087

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CCCN(CCC)C1CC=C(C#C[Si](C)(C)C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163087
Phase Preclinical
Structure Type MOL
InChI Key VJEWRCWFWRMYOH-UHFFFAOYSA-N
4
Targets
24
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

277.5
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H31NSi
MW 277.53

Activity Summary

Ki 24 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 Ki 7.8 7.095 16.0 4
D(3) dopamine receptor
CHEMBL234
 Ki 7.64 6.516 23.0 5
D(2) dopamine receptor
CHEMBL3998
 Ki 7.54 6.2867 29.0 6
D(4) dopamine receptor
CHEMBL219
 Ki 7.27 6.42 54.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 16.0 nM 7.8 Binding Affinity was tested on relative proportion of High Affinity Site of Dopa... 10691700
D(2) dopamine receptor Ki = 17.0 nM 7.77 Binding Affinity was tested on relative proportion of High Affinity Site of Dopa... 10691700
D(3) dopamine receptor Ki = 23.0 nM 7.64 Binding Affinity was tested on relative proportion of High Affinity Site of Dopa... 10691700
D(2) dopamine receptor Ki = 29.0 nM 7.54 Binding Affinity was tested on relative proportion of high Affinity Site of Bovi... 10691700
D(2) dopamine receptor Ki = 30.0 nM 7.52 Binding Affinity was tested on high Affinity Site of Bovine dopamine receptor D2... 10691700
D(3) dopamine receptor Ki = 47.0 nM 7.33 Binding Affinity was tested on the high affinity site of Dopamine receptor D3 10691700
D(4) dopamine receptor Ki = 54.0 nM 7.27 Binding Affinity was tested on relative proportion of High Affinity Site of Dopa... 10691700
D(2) dopamine receptor Ki = 150.0 nM 6.82 Binding Affinity was tested on high Affinity Site of Bovine Dopamine D2 Receptor... 10691700
D(4) dopamine receptor Ki = 160.0 nM 6.8 Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4 10691700
D(2) dopamine receptor Ki = 160.0 nM 6.8 Binding affinity on High Affinity Site of Dopamine receptor D2L 10691700
D(4) dopamine receptor Ki = 640.0 nM 6.19 Dissociation constant of compound on one-site model Dopamine receptor D4.4 10691700
D(3) dopamine receptor Ki = 820.0 nM 6.09 Dissociation constant of compound on one-site model Dopamine receptor D3 10691700
D(2) dopamine receptor Ki = 970.0 nM 6.01 Binding Affinity on High Affinity Site of Dopamine receptor D2S 10691700
D(3) dopamine receptor Ki = 1600.0 nM 5.8 Binding Affinity was tested on low Affinity Site of Dopamine receptor D3 10691700
D(2) dopamine receptor Ki = 1600.0 nM 5.8 Dissociation constant of compound on one-site model Bovine dopamine receptor D2.... 10691700
D(3) dopamine receptor Ki = 1900.0 nM 5.72 Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for deco... 10691700
D(4) dopamine receptor Ki = 3800.0 nM 5.42 Binding Affinity was tested on low Affinity Site of Dopamine receptor D4.4 10691700
D(2) dopamine receptor Ki = 7500.0 nM 5.12 Binding Affinity was tested on low Affinity Site of Bovine dopamine receptor D2.... 10691700
D(2) dopamine receptor Ki = 12000.0 nM 4.92 Binding Affinity was determined for decoupling of the ternary complex of Compoun... 10691700

Literature References

PubMed DOI Target Context # Activities
10691700 10.1021/jm991098z D(2) dopamine receptor 19
10691700 10.1021/jm991098z D(3) dopamine receptor 6
10691700 10.1021/jm991098z D(4) dopamine receptor 5
10691700 10.1021/jm991098z D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine