EcoDrugPlus


Synonyms	JNJ-38518168 JNJ-38518168 HEMITARTRATE Toreforant tartrate
Status
Molecule Category	Salt-form
UNII	HSV17TLD9C

Synonyms

JNJ-38518168

JNJ-38518168 HEMITARTRATE

Toreforant tartrate

Status

Molecule Category

Salt-form

UNII

HSV17TLD9C


InChI Key	FWIDBLDKHORZBP-UHFFFAOYSA-N
Smiles	Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1.Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1.O=C(O)C(O)C(O)C(=O)O
InChI	InChI=1S/2C23H32N6.C4H6O6/c21-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18;5-1(3(7)8)2(6)4(9)10/h212-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)

InChI Key

FWIDBLDKHORZBP-UHFFFAOYSA-N

Smiles

Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1.Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1.O=C(O)C(O)C(O)C(=O)O

InChI

InChI=1S/2C23H32N6.C4H6O6/c2*1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18;5-1(3(7)8)2(6)4(9)10/h2*12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)

Property Name	Value
Molecular Formula	C50H70N12O6
Molecular Weight	935.19
AlogP	4.48
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	69.73
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C50H70N12O6

Molecular Weight

935.19

AlogP

4.48

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

69.73

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

29.0

Resources	Reference
ChEMBL	CHEMBL3301614
FDA SRS	HSV17TLD9C
PubChem	44545778

Resources

Reference

ChEMBL

CHEMBL3301614

FDA SRS

HSV17TLD9C

PubChem

44545778

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

TOREFORANT TARTRATE

Structure

Physicochemical Descriptors

Cross References