EcoDrugPlus


Synonyms	AZ-7371 Tba-7371
Status
Molecule Category	Free-form
UNII	R3T98GBE3C

Synonyms

AZ-7371

Tba-7371

Status

Molecule Category

Free-form

UNII

R3T98GBE3C


InChI Key	VDRYGTNDKXIPSK-UHFFFAOYSA-N
Smiles	COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc32)c1C
InChI	InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)

InChI Key

VDRYGTNDKXIPSK-UHFFFAOYSA-N

Smiles

COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc32)c1C

InChI

InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)

Property Name	Value
Molecular Formula	C18H21N5O3
Molecular Weight	355.4
AlogP	1.22
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	102.16
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C18H21N5O3

Molecular Weight

355.4

AlogP

1.22

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

102.16

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

26.0

Mechanism of Action	Action	Reference
FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase inhibitor	INHIBITOR	PubMed Other

Mechanism of Action

Action

Reference

FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase inhibitor

INHIBITOR

PubMed Other

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mycobacterium smegmatis	-	10-10	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Mycobacterium smegmatis

10-10

Resources	Reference
ChEMBL	CHEMBL3109802
DrugBank	DB16243
FDA SRS	R3T98GBE3C
PubChem	72792692
SureChEMBL	SCHEMBL16395186
ZINC	ZINC000103248024

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

TBA-7371

Structure

Physicochemical Descriptors

Pharmacology

Cross References