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Compound Detail

CHEMBL301035

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COc1ccccc1N1CCN(Cc2ccc(-c3cccc(Cl)c3)[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301035
Phase Preclinical
Structure Type MOL
InChI Key MMOBVFCLEWJYLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
4.67
ALogP
3
HBA
1
HBD
31.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN3O
MW 381.91
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.45

Activity Summary

Ki 1 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
 Ki 8.36 8.36 4.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 4.4 nM 8.36 Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum 2902226

Literature References

PubMed DOI Target Context # Activities
2902226 10.1021/jm00118a011 D(2) dopamine receptor 1
2902226 10.1021/jm00118a011 Dopamine receptor 1
2902226 10.1021/jm00118a011 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine