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Compound Detail

CHEMBL4108274

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Cc1ncccc1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1

Basic Information

ChEMBL ID CHEMBL4108274
Phase Preclinical
Structure Type MOL
InChI Key DYMQPSSXRFHPQS-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
2.53
ALogP
5
HBA
0
HBD
37.8
PSA (Ų)
0.80
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 C21H27N3O2
MW 353.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.21

Activity Summary

Ki 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2B
CHEMBL2583
Ki 5.5 5.5 3169.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine