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Compound Detail

CHEMBL278767

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

Basic Information

ChEMBL ID CHEMBL278767
Phase Preclinical
Structure Type MOL
InChI Key IBUGWYFNHKGWRI-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
2.27
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.88
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 C15H21ClN2O3
MW 312.80
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
IC50 7.19 7.19 64.0 1

Activity Data Samples

Top measurements by pChEMBL value

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