EcoDrugPlus


Synonyms	DNDI1417324 Vlx-600
Status
Molecule Category	Free-form
UNII	YZO6DG19MG
EPA CompTox	DTXSID30423425

Synonyms

DNDI1417324

Vlx-600

Status

Molecule Category

Free-form

UNII

YZO6DG19MG

EPA CompTox

DTXSID30423425


InChI Key	UQOSBPRTQFFUOA-NHDPSOOVSA-N
Smiles	C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1
InChI	InChI=1S/C17H15N7/c1-10-6-5-7-12-14(10)19-16-15(12)22-24-17(20-16)23-21-11(2)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,19,20,23,24)/b21-11-

InChI Key

UQOSBPRTQFFUOA-NHDPSOOVSA-N

Smiles

C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccccn1

InChI

InChI=1S/C17H15N7/c1-10-6-5-7-12-14(10)19-16-15(12)22-24-17(20-16)23-21-11(2)13-8-3-4-9-18-13/h3-9H,1-2H3,(H2,19,20,23,24)/b21-11-

Property Name	Value
Molecular Formula	C17H15N7
Molecular Weight	317.36
AlogP	3.05
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	91.74
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C17H15N7

Molecular Weight

317.36

AlogP

3.05

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

91.74

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

24.0

Resources	Reference
ChEMBL	CHEMBL2094620
FDA SRS	YZO6DG19MG
SureChEMBL	SCHEMBL12696807
ZINC	ZINC000016671893

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

VLX-600

Structure

Physicochemical Descriptors

Cross References