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Compound Detail

CHEMBL5981023

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CCc1c(CC2CCCCO2)cnc2c1CC[C@@H]1CNCCN21

Basic Information

ChEMBL ID CHEMBL5981023
Phase Preclinical
Structure Type MOL
InChI Key SALUSCADZFUDMG-AAFJCEBUSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.5
MW (Da)
2.48
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29N3O
MW 315.46
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.29

Activity Summary

Ki 3 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2B
CHEMBL1833
Ki 7.19 7.19 65.2 1
5-hydroxytryptamine receptor 2C
CHEMBL225
Ki 6.24 6.24 570.0 1
5-hydroxytryptamine receptor 2A
CHEMBL224
Ki 6.05 6.05 890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine