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
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]
Molecular Interaction Atlas (MIA) 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) 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.