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Compound Detail

CHEMBL5767392

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CCCC(C)c1ccnc2c1CC[C@@H]1CNCCN21

Basic Information

ChEMBL ID CHEMBL5767392
Phase Preclinical
Structure Type MOL
InChI Key CUCUTQPVFJILKT-ZGTCLIOFSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
2.71
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N3
MW 259.40
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.12

Activity Summary

Ki 3 meas. best 8.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2C
CHEMBL225
Ki 8.35 8.35 4.5 1
5-hydroxytryptamine receptor 2A
CHEMBL224
Ki 7.59 7.59 25.9 1
5-hydroxytryptamine receptor 2B
CHEMBL1833
Ki 7.42 7.42 37.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine