Details of the Drug

General Information of Drug (ID: DML19V6)

Drug Name

Tolebrutinib

Synonyms

Tolebrutinib; 1971920-73-6; PRN2246; SAR442168; c]pyridin-2-one; Tolebrutinib [INN]; Tolebrutinib [USAN]; PRN-2246; 8CZ82ZYY9X; SAR-442168; (R)-1-(1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one; 4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one; 4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-(prop-2-; enoyl)piperidin-3-yl]-1,3-dihydro-2H-imidazo[4,5-; 2H-Imidazo(4,5-C)pyridin-2-one, 4-amino-1,3-dihydro-1-((3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl)-3-(4-phenoxyphenyl)-; 4-Amino-1,3-dihydro-1-((3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl)-3-(4-phenoxyphenyl)-2H-imidazo(4,5-C)pyridin-2-one; Tolebrutinib [USAN:INN]; UNII-8CZ82ZYY9X; TOLEBRUTINIB [WHO-DD]; CHEMBL4650323; SCHEMBL18285621; GTPL10625; BTK'168; EX-A4699; BDBM50557487; WHO 11268; AKOS040759681; example 3 [WO2016196840A1]; SAR442168; PRN2246; MS-28304; HY-109192; CS-0119132; EN300-6498433; 4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]-1H,2H,3H-imidazo[4,5-c]pyridin-2-one

Indication

Disease Entry	ICD 11	Status	REF
Multiple sclerosis	8A40	Phase 3	[1]
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Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C26H25N5O3
Canonical SMILES: C=CC(=O)N1CCCC(C1)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI: InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1
InChIKey: KOEUOFPEZFUWRF-LJQANCHMSA-N

Cross-matching ID

PubChem CID: 124111565
UNII: 8CZ82ZYY9X
DrugBank ID: DB18715
TTD ID: D7OZC3

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine-protein kinase BTK (ATK)	TTGM6VW	BTK_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Multiple sclerosis

ICD Disease Classification

8A40

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosine-protein kinase BTK (ATK)	DTT	BTK	3.54E-01	0.24	0.56

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04411641) A Phase 3, Randomized, Double-blind, Efficacy and Safety Study Comparing SAR442168 to Placebo in Participants With Nonrelapsing Secondary Progressive Multiple Sclerosis. U.S.National Institutes of Health.
2	Safety and efficacy of tolebrutinib, an oral brain-penetrant BTK inhibitor, in relapsing multiple sclerosis: a phase 2b, randomised, double-blind, placebo-controlled trial. Lancet Neurol. 2021 Sep;20(9):729-738.