EcoDrugPlus


Synonyms	Ramosetron
Status
Molecule Category	Free-form
UNII	7ZRO0SC54Y
EPA CompTox	DTXSID0043842

Synonyms

Ramosetron

Status

Molecule Category

Free-form

UNII

7ZRO0SC54Y

EPA CompTox

DTXSID0043842


InChI Key	NTHPAPBPFQJABD-LLVKDONJSA-N
Smiles	Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21
InChI	InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1

InChI Key

NTHPAPBPFQJABD-LLVKDONJSA-N

Smiles

Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21

InChI

InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1

Property Name	Value
Molecular Formula	C17H17N3O
Molecular Weight	279.34
AlogP	2.89
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	50.68
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H17N3O

Molecular Weight

279.34

AlogP

2.89

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

50.68

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

21.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor	-	-	-	0.06	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Ion channel Ligand-gated ion channel 5HT3 receptor

0.06

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	0.06	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

0.06

Resources	Reference
ChEBI	135156
ChEMBL	CHEMBL1643895
DrugBank	DB09290
DrugCentral	2357
FDA SRS	7ZRO0SC54Y
Guide to Pharmacology	2301
PubChem	108000
SureChEMBL	SCHEMBL16701
ZINC	ZINC000005116719

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

RAMOSETRON

Structure

Physicochemical Descriptors

Pharmacology

Cross References