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Compound Detail

CHEMBL220808

SARIZOTAN
🧪 Phase III
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🧪 Phase III
Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1

Basic Information

ChEMBL ID CHEMBL220808
Name SARIZOTAN
Phase Phase III
Structure Type MOL
InChI Key HKFMQJUJWSFOLY-OAQYLSRUSA-N

Known Names

EMD-77697 Sarizotan
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
2
Known Names
2
Indications

Molecular Properties

348.4
MW (Da)
4.37
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -zotan
USAN Year 2005

Extended Properties

Molecular Formula C22H21FN2O
MW 348.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.72

Indications

Movement Disorders Rett Syndrome

Activity Summary

Ki 3 meas. best 8.65
EC50 1 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
Ki 8.65 8.65 2.2 1
D(2) dopamine receptor
CHEMBL339
Ki 7.72 7.72 19.1 1
5-hydroxytryptamine receptor 1A
CHEMBL214
EC50 7.11 7.11 77.6 1
5-hydroxytryptamine receptor 2A
CHEMBL322
Ki 5.67 5.67 2138.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17300168 10.1021/jm061180b 5-hydroxytryptamine receptor 1A 3
17300168 10.1021/jm061180b 5-hydroxytryptamine receptor 2A 1
17300168 10.1021/jm061180b D(2) dopamine receptor 1
18181565 10.1021/jm7009364 5-hydroxytryptamine receptor 3A 1
18181565 10.1021/jm7009364 D(2) dopamine receptor 1
18181565 10.1021/jm7009364 D(3) dopamine receptor 1
18181565 10.1021/jm7009364 D(4) dopamine receptor 1
18181565 10.1021/jm7009364 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine