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Compound Detail

CHEMBL5906527

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

Basic Information

ChEMBL ID CHEMBL5906527
Phase Preclinical
Structure Type MOL
InChI Key LTCXGMKTMVFBGU-CQSZACIVSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
2.29
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27N3O
MW 289.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.52

Activity Summary

Ki 3 meas. best 7.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2C
CHEMBL225
Ki 7.53 7.53 29.4 1
5-hydroxytryptamine receptor 2B
CHEMBL1833
Ki 7.32 7.32 47.5 1
5-hydroxytryptamine receptor 2A
CHEMBL224
Ki 6.33 6.33 468.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine