EcoDrugPlus


Synonyms	Prothipendyl
Status
Molecule Category	Free-form
ATC	N05AX07
UNII	5O6VWA87VA
EPA CompTox	DTXSID50184389

Synonyms

Prothipendyl

Status

Molecule Category

Free-form

ATC

N05AX07

UNII

5O6VWA87VA

EPA CompTox

DTXSID50184389


InChI Key	JTTAUPUMOLRVRA-UHFFFAOYSA-N
Smiles	CN(C)CCCN1c2ccccc2Sc2cccnc21
InChI	InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3

InChI Key

JTTAUPUMOLRVRA-UHFFFAOYSA-N

Smiles

CN(C)CCCN1c2ccccc2Sc2cccnc21

InChI

InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3

Property Name	Value
Molecular Formula	C16H19N3S
Molecular Weight	285.42
AlogP	3.64
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	19.37
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C16H19N3S

Molecular Weight

285.42

AlogP

3.64

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

19.37

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

20.0

Resources	Reference
ChEBI	135182
ChEMBL	CHEMBL2111030
DrugBank	DB12958
DrugCentral	2315
FDA SRS	5O6VWA87VA
PubChem	14670
SureChEMBL	SCHEMBL145059
ZINC	ZINC000000001996

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

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

PROTHIPENDYL

Structure

Physicochemical Descriptors

Cross References