EcoDrugPlus


Synonyms	2-(Diphenylmethylene)Hydrazinecarbothioamide
Molecule Category	Free-form
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

2-(Diphenylmethylene)Hydrazinecarbothioamide

Molecule Category

Free-form

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	VIDYVRMUWBNYCT-UHFFFAOYSA-N
Smiles	NC(=S)NN=C(c1ccccc1)c2ccccc2
InChI	InChI=1S/C14H13N3S/c15-14(18)17-16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,15,17,18)

InChI Key

VIDYVRMUWBNYCT-UHFFFAOYSA-N

Smiles

NC(=S)NN=C(c1ccccc1)c2ccccc2

InChI

InChI=1S/C14H13N3S/c15-14(18)17-16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,15,17,18)

Property Name	Value
Molecular Formula	C14H13N3S
Molecular Weight	255.34
AlogP	3.44
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	82.5
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H13N3S

Molecular Weight

255.34

AlogP

3.44

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

82.5

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

18.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Trypanosoma brucei brucei	-	68340	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Trypanosoma brucei brucei

68340

Resources	Reference
ChEMBL	CHEMBL1269809
PubChem	3001308
ZINC	ZINC06578477

Resources

Reference

ChEMBL

CHEMBL1269809

PubChem

3001308

ZINC

ZINC06578477

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...

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Last update: Monday, 3 November 2025

BENZOPHENONE-THIOSEMICARBAZONE

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