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Compound Detail

CHEMBL3932669

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Cn1ccc2ccc(OCCCN3CCN(c4cccc5sccc45)CC3)cc2c1=O

Basic Information

ChEMBL ID CHEMBL3932669
Phase Preclinical
Structure Type MOL
InChI Key CVMRJJLVIWWJTQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
4.34
ALogP
6
HBA
0
HBD
37.7
PSA (Ų)
0.42
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 4
Heavy Atoms 31
NP-Likeness -1.44

Activity Summary

Ki 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
Ki 9.0 9.0 1.0 1
5-hydroxytryptamine receptor 2A
CHEMBL322
Ki 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine