EcoDrugPlus


Synonyms	GENZ-682452 GZ-402671 GZ/SAR402671 GZ402671 Genz-682452 Genz-682452-AA Gz402671 Ibiglustat SAR-402671 SAR402671 Venglustat
Status
Molecule Category	Free-form
UNII	BLP1XA3FZA

Synonyms

GENZ-682452

GZ-402671

GZ/SAR402671

GZ402671

Genz-682452

Genz-682452-AA

Gz402671

Ibiglustat

SAR-402671

SAR402671

Venglustat

Status

Molecule Category

Free-form

UNII

BLP1XA3FZA


InChI Key	YFHRCLAKZBDRHN-MRXNPFEDSA-N
Smiles	CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1
InChI	InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1

InChI Key

YFHRCLAKZBDRHN-MRXNPFEDSA-N

Smiles

CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1

InChI

InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1

Property Name	Value
Molecular Formula	C20H24FN3O2S
Molecular Weight	389.5
AlogP	4.0
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	54.46
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C20H24FN3O2S

Molecular Weight

389.5

AlogP

4.0

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

54.46

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

27.0

Resources	Reference
ChEMBL	CHEMBL4297611
DrugBank	DB14966
FDA SRS	BLP1XA3FZA
PubChem	60199242
SureChEMBL	SCHEMBL12615329
ZINC	ZINC000202143443

Resources

Reference

ChEMBL

DrugBank

FDA SRS

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

VENGLUSTAT

Structure

Physicochemical Descriptors

Cross References