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Compound Detail

CHEMBL3982360

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O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCO5)CC3)cc2N1

Basic Information

ChEMBL ID CHEMBL3982360
Phase Preclinical
Structure Type MOL
InChI Key AMAZFBCTWBJQKF-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
3.32
ALogP
6
HBA
1
HBD
63.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N3O4
MW 437.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.84

Activity Summary

EC50 1 meas. best 8.82
Ki 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
Ki 9.52 9.52 0.3 1
D(2) dopamine receptor
CHEMBL217
EC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine