EcoDrugPlus


Synonyms	Sns 314 Sns-314
Status
Molecule Category	Free-form
UNII	802IFJ0Z8X
EPA CompTox	DTXSID20147269

Synonyms

Sns 314

Sns-314

Status

Molecule Category

Free-form

UNII

802IFJ0Z8X

EPA CompTox

DTXSID20147269


InChI Key	FAYAUAZLLLJJGH-UHFFFAOYSA-N
Smiles	O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1
InChI	InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)

InChI Key

FAYAUAZLLLJJGH-UHFFFAOYSA-N

Smiles

O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1

InChI

InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)

Property Name	Value
Molecular Formula	C18H15ClN6OS2
Molecular Weight	430.95
AlogP	4.52
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	95.06
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C18H15ClN6OS2

Molecular Weight

430.95

AlogP

4.52

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

95.06

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

28.0

Mechanism of Action	Action	Reference
Serine/threonine-protein kinase Aurora inhibitor	INHIBITOR	PubMed PubMed

Mechanism of Action

Action

Reference

Serine/threonine-protein kinase Aurora inhibitor

INHIBITOR

PubMed PubMed

Resources	Reference
ChEBI	94720
ChEMBL	CHEMBL482767
DrugBank	DB06134
FDA SRS	802IFJ0Z8X
Guide to Pharmacology	9397
PDB	AK2
PubChem	24995524
SureChEMBL	SCHEMBL3415843
ZINC	ZINC000040393428

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Guide to Pharmacology

PDB

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

SNS-314

Structure

Physicochemical Descriptors

Pharmacology

Cross References