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Compound Detail

CHEMBL3889759

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O=C1CCc2ccc(OC/C=C\CN3CCN(c4cccc5sccc45)CC3)cc2N1

Basic Information

ChEMBL ID CHEMBL3889759
Phase Preclinical
Structure Type MOL
InChI Key PFDUTSYNBVBRFL-UPHRSURJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
4.54
ALogP
5
HBA
1
HBD
44.8
PSA (Ų)
0.58
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 C25H27N3O2S
MW 433.58
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
Ki 8.62 8.62 2.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 2.4 nM 8.62 Dopamine D2 Receptor Binding Assay: The assay was performed according to the met... -

Data from ChEMBL 36 via Core Engine