Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL189880

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCN(CCC)[C@H]1CCn2c(C=C(C#N)C#N)ccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189880
Phase Preclinical
Structure Type MOL
InChI Key BEXZDWKMMJPZCQ-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.36
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.76
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 C18H24N4
MW 296.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.01

Activity Summary

Ki 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(3) dopamine receptor
CHEMBL234
 Ki 7.22 7.22 60.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(3) dopamine receptor Ki = 60.26 nM 7.22 Inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3... 15801839

Literature References

PubMed DOI Target Context # Activities
15801839 10.1021/jm049269+ D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine