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Compound Detail

CHEMBL1643895

RAMOSETRON
💊 Approved Drug
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💊 Approved Drug
Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1643895
Name RAMOSETRON
Phase Approved
Structure Type MOL
InChI Key NTHPAPBPFQJABD-LLVKDONJSA-N

Known Names

Ramosetron
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
1
Known Names
7
Indications

Molecular Properties

279.3
MW (Da)
2.89
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2015
Availability Unknown
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -setron

Extended Properties

Molecular Formula C17H17N3O
MW 279.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.92

Indications

Nausea Nausea Neoplasms Postoperative Nausea and Vomiting Stomach Neoplasms Vomiting Fecal Incontinence

Activity Summary

Ki 2 meas. best 10.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 3A
CHEMBL1899
Ki 10.22 10.22 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12195819 10.1211/002235702320266208 ATP-dependent translocase ABCB1 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
21146988 10.1016/j.bmcl.2010.11.080 5-hydroxytryptamine receptor 3A 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Neuronal acetylcholine receptor subunit alpha-4 1
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 1

Data from ChEMBL 36 via Core Engine