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Compound Detail

CHEMBL3982910

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O=c1[nH]c2ccccc2cc1OCCN1CCN(c2cccc3sccc23)CC1

Basic Information

ChEMBL ID CHEMBL3982910
Phase Preclinical
Structure Type MOL
InChI Key BOKAVZYMEBZBJT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.94
ALogP
5
HBA
1
HBD
48.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O2S
MW 405.52
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.51

Activity Summary

Ki 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL322
Ki 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine