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Compound Detail

CHEMBL32664

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CNc1nc(Cl)cc(N2CCN(C)CC2)n1

Basic Information

ChEMBL ID CHEMBL32664
Phase Preclinical
Structure Type MOL
InChI Key ZBVINRICLNEJJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

241.7
MW (Da)
0.92
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16ClN5
MW 241.73
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.78

Activity Summary

Ki 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
Ki 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor Ki = 1600.0 nM 5.8 In vitro ability to displace [3H]spiroperidol from rat dopamine receptor 7154006

Literature References

PubMed DOI Target Context # Activities
7154006 10.1021/jm00354a014 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine