EcoDrugPlus


Synonyms	PQ-912 PQ912 Pq912 Varoglutamstat
Status
Molecule Category	Free-form
UNII	E3DSH8LL4L

Synonyms

PQ-912

PQ912

Pq912

Varoglutamstat

Status

Molecule Category

Free-form

UNII

E3DSH8LL4L


InChI Key	XHIKZWOEFZENIX-GOSISDBHSA-N
Smiles	CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1
InChI	InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1

InChI Key

XHIKZWOEFZENIX-GOSISDBHSA-N

Smiles

CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1

InChI

InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1

Property Name	Value
Molecular Formula	C19H20N4O2
Molecular Weight	336.4
AlogP	3.62
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	70.25
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H20N4O2

Molecular Weight

336.4

AlogP

3.62

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

70.25

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

25.0

Resources	Reference
ChEMBL	CHEMBL3659477
FDA SRS	E3DSH8LL4L
SureChEMBL	SCHEMBL1443998
ZINC	ZINC000096168036

Resources

Reference

ChEMBL

FDA SRS

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

VAROGLUTAMSTAT

Structure

Physicochemical Descriptors

Cross References