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]

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
ChEBI ID: CHEMBL4650323
UNII: 8CZ82ZYY9X
DrugBank ID: DB18715
TTD ID: D7OZC3

Drug-Molecule Activity Atlas (DMA)^NEW

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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]

Molecular Interaction Atlas (MIA)

MIA Detail

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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

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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.