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Compound Detail

CHEMBL3673241

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O=C1c2cc(F)cc3cnn(c23)CCN1C1CN2CCC1CC2

Basic Information

ChEMBL ID CHEMBL3673241
Phase Preclinical
Structure Type MOL
InChI Key WLINCFBAKQHMPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.73
ALogP
4
HBA
0
HBD
41.4
PSA (Ų)
0.80
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 C17H19FN4O
MW 314.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.75

Activity Summary

Ki 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 3A
CHEMBL1899
Ki 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine