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Compound Detail

CHEMBL106007

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O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCSc2ccccc21

Basic Information

ChEMBL ID CHEMBL106007
Phase Preclinical
Structure Type MOL
InChI Key LZYZLDMCQNWMSS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.0
MW (Da)
3.99
ALogP
4
HBA
0
HBD
26.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN3OS
MW 415.99
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.88

Activity Summary

Ki 1 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL219
Ki 7.23 7.23 59.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12372512 10.1016/s0960-894x(02)00655-8 D(2) dopamine receptor 1
12372512 10.1016/s0960-894x(02)00655-8 D(4) dopamine receptor 1

Data from ChEMBL 36 via Core Engine