EcoDrugPlus


Synonyms	AT-007 AT007 At-007 Govorestat
Status
Molecule Category	Free-form
UNII	6JLQ8K35KK

Synonyms

AT-007

AT007

At-007

Govorestat

Status

Molecule Category

Free-form

UNII

6JLQ8K35KK


InChI Key	ORQGHAJIWGGFJK-UHFFFAOYSA-N
Smiles	O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2cscc12
InChI	InChI=1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25)

InChI Key

ORQGHAJIWGGFJK-UHFFFAOYSA-N

Smiles

O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2cscc12

InChI

InChI=1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25)

Property Name	Value
Molecular Formula	C17H10F3N3O3S2
Molecular Weight	425.41
AlogP	3.76
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	85.08
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C17H10F3N3O3S2

Molecular Weight

425.41

AlogP

3.76

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

85.08

Molecular species

ACID

Aromatic Rings

4.0

Heavy Atoms

28.0

Resources	Reference
ChEMBL	CHEMBL4650327
FDA SRS	6JLQ8K35KK

Resources

Reference

ChEMBL

CHEMBL4650327

FDA SRS

6JLQ8K35KK

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

GOVORESTAT

Structure

Physicochemical Descriptors

Cross References