EcoDrugPlus


Synonyms	79 T61 79-T61 Lucanthone hcl Lucanthone hydrochloride MS-752 Miracil d Miracol NSC-14574 Nilodin RP-3735 Tixantone
Status
Molecule Category	Salt-form
UNII	918K9N56QZ
EPA CompTox	DTXSID20878506

Synonyms

79 T61

79-T61

Lucanthone hcl

Lucanthone hydrochloride

MS-752

Miracil d

Miracol

NSC-14574

Nilodin

RP-3735

Tixantone

Status

Molecule Category

Salt-form

UNII

918K9N56QZ

EPA CompTox

DTXSID20878506


InChI Key	LAOOXBLMIJHMFO-UHFFFAOYSA-N
Smiles	CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.Cl
InChI	InChI=1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H

InChI Key

LAOOXBLMIJHMFO-UHFFFAOYSA-N

Smiles

CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.Cl

InChI

InChI=1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H

Property Name	Value
Molecular Formula	C20H25ClN2OS
Molecular Weight	376.95
AlogP	4.48
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	32.34
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H25ClN2OS

Molecular Weight

376.95

AlogP

4.48

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

32.34

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

24.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Schistosoma mansoni	-	-	-	-	71

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Schistosoma mansoni

Resources	Reference
ChEMBL	CHEMBL2007389
FDA SRS	918K9N56QZ
PubChem	11054
SureChEMBL	SCHEMBL419165

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

LUCANTHONE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References