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Compound Detail

CHEMBL3937293

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O=c1ccc2cccc(OCCCCN3CCN(c4cccc5sccc45)CC3)c2[nH]1

Basic Information

ChEMBL ID CHEMBL3937293
Phase Preclinical
Structure Type MOL
InChI Key UUYQVYOWXJXSAJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
4.72
ALogP
5
HBA
1
HBD
48.6
PSA (Ų)
0.43
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 C25H27N3O2S
MW 433.58
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.32

Activity Summary

Ki 2 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
Ki 8.8 8.8 1.6 1
5-hydroxytryptamine receptor 2A
CHEMBL322
Ki 8.2 8.2 6.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine