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Compound Detail

CHEMBL23932

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CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Cl)c1OC

Basic Information

ChEMBL ID CHEMBL23932
Phase Preclinical
Structure Type MOL
InChI Key CQFIGXQADSIOPJ-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
2.57
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.87
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 C16H23ClN2O3
MW 326.82
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
IC50 5.5 5.5 3190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor IC50 = 3190.0 nM 5.5 In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spi... 4040977

Literature References

PubMed DOI Target Context # Activities
4040977 10.1021/jm00147a025 Rattus norvegicus 2
4040977 10.1021/jm00147a025 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine