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Compound Detail

CHEMBL18972

GLEMANSERIN
🧪 Phase II
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🧪 Phase II
OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18972
Name GLEMANSERIN
Phase Phase II
Structure Type MOL
InChI Key AXNGJCOYCMDPQG-UHFFFAOYSA-N

Known Names

Glemanserin Glemanserina Glemanserine MDL 11,939 MDL-11,939 MDL-11939
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
12
Publications
6
Known Names

Molecular Properties

295.4
MW (Da)
3.67
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -anserin
USAN Year 1992

Extended Properties

Molecular Formula C20H25NO
MW 295.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.62

Activity Summary

Ki 8 meas. best 8.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 8.61 8.6033 2.5 3
5-hydroxytryptamine receptor 2A
CHEMBL322
 Ki 8.6 8.6 2.5 1
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
 Ki 7.9 7.9 12.5 1
5-hydroxytryptamine receptor 2C
CHEMBL324
 Ki 6.08 6.08 830.0 1
5-hydroxytryptamine receptor 2C
CHEMBL225
 Ki 5.0 5.0 10000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A Ki = 2.455 nM 8.61 Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed a... 23301527
5-hydroxytryptamine receptor 2A Ki = 2.5 nM 8.6 Binding affinity against 5-hydroxytryptamine 2A receptor 7707322
5-hydroxytryptamine receptor 2A Ki = 2.5 nM 8.6 Binding affinity for human 5-hydroxytryptamine 2A receptor 11170639
5-hydroxytryptamine receptor 2A Ki = 2.5 nM 8.6 Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed a... 23301527
Serotonin 2 (5-HT2) receptor Ki = 12.5 nM 7.9 Inhibitory constant against 5-hydroxytryptamine 2 receptor 1479590
5-hydroxytryptamine receptor 2C Ki = 830.0 nM 6.08 Binding affinity against 5-hydroxytryptamine 2C receptor 7707322
5-hydroxytryptamine receptor 2C Ki = 10000.0 nM 5.0 Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed a... 23301527
5-hydroxytryptamine receptor 2C Ki = 10000.0 nM 5.0 Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed a... 23301527

Literature References

PubMed DOI Target Context # Activities
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2C 2
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2A 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
7707322 10.1021/jm00007a016 5-hydroxytryptamine receptor 2A 1
7707322 10.1021/jm00007a016 5-hydroxytryptamine receptor 2C 1
7707322 10.1021/jm00007a016 Serotonin receptor 2a and 2c (5HT2A and 5HT2C) 1
1479590 10.1021/jm00104a017 Serotonin 2 (5-HT2) receptor 1
11170639 10.1021/jm0002432 5-hydroxytryptamine receptor 2A 1
23301527 10.1021/jm301656h Serotonin 2 receptors; 5-HT2a & 5-HT2c 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine