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Compound Detail

CHEMBL483593

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CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CC=C(C#C[Si](C)(C)C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483593
Phase Preclinical
Structure Type MOL
InChI Key YVKJVUJRJJSJAZ-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

486.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H42N2OSi
MW 486.78

Activity Summary

Ki 8 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(3) dopamine receptor
CHEMBL234
 Ki 8.36 8.36 4.4 1
D(4) dopamine receptor
CHEMBL219
 Ki 7.16 7.16 69.0 1
D(2) dopamine receptor
CHEMBL217
 Ki 6.66 6.55 220.0 2
Unchecked
CHEMBL612545
 Ki 6.18 5.8967 660.0 3
D(1A) dopamine receptor
CHEMBL5067
 Ki 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(3) dopamine receptor Ki = 4.4 nM 8.36 Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells 18834111
D(4) dopamine receptor Ki = 69.0 nM 7.16 Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells 18834111
D(2) dopamine receptor Ki = 220.0 nM 6.66 Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells 18834111
D(2) dopamine receptor Ki = 360.0 nM 6.44 Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells 18834111
Unchecked Ki = 660.0 nM 6.18 Displacement of [3H]WAY100635 from 5HT1A receptor in pig striatal membrane 18834111
Unchecked Ki = 1400.0 nM 5.85 Displacement of [3H]ketanserin from 5HT2 receptor in pig striatal membrane 18834111
Unchecked Ki = 2200.0 nM 5.66 Displacement of [3H]prazosin from adrenergic alpha1 receptor in pig striatal mem... 18834111
D(1A) dopamine receptor Ki = 3800.0 nM 5.42 Displacement of [3H]SCH23390 from D1 receptor in pig striatal membrane 18834111

Literature References

PubMed DOI Target Context # Activities
18834111 10.1021/jm800895v Unchecked 3
18834111 10.1021/jm800895v D(2) dopamine receptor 2
18834111 10.1021/jm800895v D(1A) dopamine receptor 1
18834111 10.1021/jm800895v D(3) dopamine receptor 1
18834111 10.1021/jm800895v D(4) dopamine receptor 1

Data from ChEMBL 36 via Core Engine