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Compound Detail

CHEMBL392158

FALLYPRIDE
🧪 Phase III
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🧪 Phase III
C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392158
Name FALLYPRIDE
Phase Phase III
Structure Type MOL
InChI Key OABRYNHZQBZDMG-INIZCTEOSA-N

Known Names

Fallypride
5
Targets
13
Activities
2
Assay Types
0
PK Parameters
12
Publications
1
Known Names
2
Indications

Molecular Properties

364.5
MW (Da)
2.99
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -pride

Extended Properties

Molecular Formula C20H29FN2O3
MW 364.46
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.70

Indications

Obesity Obesity, Morbid

Activity Summary

Ki 11 meas. best 10.7
IC50 2 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 Ki 10.7 9.5125 0.0 4
D(3) dopamine receptor
CHEMBL234
 Ki 9.72 9.26 0.2 2
D(3) dopamine receptor
CHEMBL234
 IC50 8.77 8.77 1.7 1
D(2) dopamine receptor
CHEMBL217
 IC50 8.3 8.3 5.0 1
Unchecked
CHEMBL612545
 Ki 6.01 5.8 970.0 3
D(4) dopamine receptor
CHEMBL219
 Ki 5.89 5.89 1300.0 1
D(1A) dopamine receptor
CHEMBL5067
 Ki 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 0.02 nM 10.7 Binding affinity to D2 receptor (unknown origin) 37688938
D(2) dopamine receptor Ki = 0.097 nM 10.01 Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells 24779610
D(3) dopamine receptor Ki = 0.19 nM 9.72 Binding affinity to D3 receptor (unknown origin) 37688938
D(3) dopamine receptor Ki = 1.6 nM 8.8 Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells 17765546
D(3) dopamine receptor IC50 = 1.7 nM 8.77 Binding affinity to human D3 receptor expressed in CHO-K1 cells assessed as inhi... 37688938
D(2) dopamine receptor Ki = 2.1 nM 8.68 Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells 17765546
D(2) dopamine receptor Ki = 2.2 nM 8.66 Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells 17765546
D(2) dopamine receptor IC50 = 5.0 nM 8.3 Antagonist activity at dopamine D2 receptor 18674906
Unchecked Ki = 970.0 nM 6.01 Displacement of [3H]prazosin from adrenergic-alpha-1 receptor in pig striatal me... 17765546
Unchecked Ki = 1100.0 nM 5.96 Displacement of [3H]8HO-DPAT from serotonin 5-HT1A receptor in pig striatal memb... 17765546
D(4) dopamine receptor Ki = 1300.0 nM 5.89 Displacement of [3H]spiperone from dopamine D4.4 receptor in CHO cells 17765546
Unchecked Ki = 3700.0 nM 5.43 Displacement of [3H]ketanserin from serotonin 5-HT2 receptor in pig striatal mem... 17765546
D(1A) dopamine receptor Ki = 18000.0 nM 4.75 Displacement of [3H]SCH23990 from dopamine D1 receptor in pig striatal membrane 17765546

Literature References

PubMed DOI Target Context # Activities
17765546 10.1016/j.bmc.2007.07.017 Unchecked 3
17765546 10.1016/j.bmc.2007.07.017 D(2) dopamine receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37688938 10.1016/j.ejmech.2023.115751 D(3) dopamine receptor 2
17765546 10.1016/j.bmc.2007.07.017 D(1A) dopamine receptor 1
17765546 10.1016/j.bmc.2007.07.017 D(3) dopamine receptor 1
17765546 10.1016/j.bmc.2007.07.017 D(4) dopamine receptor 1
17765546 10.1016/j.bmc.2007.07.017 No relevant target 1
18674906 10.1016/j.bmcl.2008.07.065 D(2) dopamine receptor 1
24779610 10.1021/jm5004123 D(2) dopamine receptor 1
37688938 10.1016/j.ejmech.2023.115751 D(2) dopamine receptor 1
37688938 10.1016/j.ejmech.2023.115751 Unchecked 1

Data from ChEMBL 36 via Core Engine