EcoDrugPlus


Synonyms	Pf-06260414
Status
Molecule Category	Free-form
UNII	3I487UHH95

Synonyms

Pf-06260414

Status

Molecule Category

Free-form

UNII

3I487UHH95


InChI Key	ZKAVFOXYJCREBQ-SNVBAGLBSA-N
Smiles	C[C@@H]1CNS(=O)(=O)N(c2ccc3c(C#N)nccc3c2)C1
InChI	InChI=1S/C14H14N4O2S/c1-10-8-17-21(19,20)18(9-10)12-2-3-13-11(6-12)4-5-16-14(13)7-15/h2-6,10,17H,8-9H2,1H3/t10-/m1/s1

InChI Key

ZKAVFOXYJCREBQ-SNVBAGLBSA-N

Smiles

C[C@@H]1CNS(=O)(=O)N(c2ccc3c(C#N)nccc3c2)C1

InChI

InChI=1S/C14H14N4O2S/c1-10-8-17-21(19,20)18(9-10)12-2-3-13-11(6-12)4-5-16-14(13)7-15/h2-6,10,17H,8-9H2,1H3/t10-/m1/s1

Property Name	Value
Molecular Formula	C14H14N4O2S
Molecular Weight	302.36
AlogP	1.4
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	86.09
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C14H14N4O2S

Molecular Weight

302.36

AlogP

1.4

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

86.09

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

21.0

Resources	Reference
ChEMBL	CHEMBL4297476
DrugBank	DB15221
FDA SRS	3I487UHH95
PubChem	76071881
SureChEMBL	SCHEMBL15754248
ZINC	ZINC000143442728

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

PF-06260414

Structure

Physicochemical Descriptors

Cross References