EcoDrugPlus


Synonyms	Firibastat QGC001 Qgc-001 Qgc001 RB-150
Status
Molecule Category	Free-form
UNII	638KY4573I

Synonyms

Firibastat

QGC001

Qgc-001

Qgc001

RB-150

Status

Molecule Category

Free-form

UNII

638KY4573I


InChI Key	HJPXZXVKLGEMGP-YUMQZZPRSA-N
Smiles	N[C@@H](CCS(=O)(=O)O)CSSC[C@@H](N)CCS(=O)(=O)O
InChI	InChI=1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1

InChI Key

HJPXZXVKLGEMGP-YUMQZZPRSA-N

Smiles

N[C@@H](CCS(=O)(=O)O)CSSC[C@@H](N)CCS(=O)(=O)O

InChI

InChI=1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1

Property Name	Value
Molecular Formula	C8H20N2O6S4
Molecular Weight	368.52
AlogP	-0.42
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	11.0
Polar Surface Area	160.78
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C8H20N2O6S4

Molecular Weight

368.52

AlogP

-0.42

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

11.0

Polar Surface Area

160.78

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

20.0

Mechanism of Action	Action	Reference
Aminopeptidase A inhibitor	INHIBITOR	PubMed PubMed PubMed

Mechanism of Action

Action

Reference

Aminopeptidase A inhibitor

INHIBITOR

PubMed PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL4297511
DrugBank	DB13107
FDA SRS	638KY4573I
SureChEMBL	SCHEMBL1694944

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL

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

FIRIBASTAT

Structure

Physicochemical Descriptors

Pharmacology

Cross References