EcoDrugPlus


Synonyms	Basmisanil RG-1662 RG1662 RO-5186582 RO5186582 Rg1662
Status
Molecule Category	Free-form
UNII	788PET5SUA

Synonyms

Basmisanil

RG-1662

RG1662

RO-5186582

RO5186582

Rg1662

Status

Molecule Category

Free-form

UNII

788PET5SUA


InChI Key	VCGRFBXVSFAGGA-UHFFFAOYSA-N
Smiles	Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1
InChI	InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3

InChI Key

VCGRFBXVSFAGGA-UHFFFAOYSA-N

Smiles

Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1

InChI

InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3

Property Name	Value
Molecular Formula	C21H20FN3O5S
Molecular Weight	445.47
AlogP	2.63
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	5.0
Polar Surface Area	102.6
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C21H20FN3O5S

Molecular Weight

445.47

AlogP

2.63

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

5.0

Polar Surface Area

102.6

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

31.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor	-	-	-	4.7-985	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Ion channel Ligand-gated ion channel GABA-A receptor

4.7-985

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	4.7-985	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

4.7-985

Resources	Reference
ChEMBL	CHEMBL3681419
DrugBank	DB11877
FDA SRS	788PET5SUA
Guide to Pharmacology	10427
PubChem	57336276
SureChEMBL	SCHEMBL2685527
ZINC	ZINC000145814743

Resources

Reference

ChEMBL

CHEMBL3681419

DrugBank

DB11877

FDA SRS

788PET5SUA

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

BASMISANIL

Structure

Physicochemical Descriptors

Pharmacology

Cross References