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Compound Detail

CHEMBL3673238

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Cc1cn2c3c(cccc13)C(=O)N([C@@H]1CN3CCC1CC3)CC2

Basic Information

ChEMBL ID CHEMBL3673238
Phase Preclinical
Structure Type MOL
InChI Key UYSKPMCDNLQXLI-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.50
ALogP
3
HBA
0
HBD
28.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O
MW 309.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.15

Activity Summary

Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 3A
CHEMBL1899
Ki 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine