Details of the Drug

General Information of Drug (ID: DMWPMN2)

Drug Name
SAR 444727
Synonyms
atuzabrutinib; Atuzabrutinib [INN]; YZ68ZB8LWA; UNII-YZ68ZB8LWA; PRN473; CHEMBL4114766; PRN-473; SAR444727; SAR-444727; 1581714-49-9; (alphaE,3R)-3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1hpyrazolo(3,4-d)pyrimidin-1-yl)-alpha-(2,2-dimethylpropylidene)-beta-oxo-1-piperidinepropanenitrile; 1-Piperidinepropanenitrile, 3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-alpha-(2,2-dimethylpropylidene)-beta-oxo-, (alphaE,3R)-; 1-Piperidinepropanenitrile, 3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-alpha-(2,2-dimethylpropylidene)-beta-oxo-, (alphaE,3R)-; ATUZABRUTINIB [USAN]; SCHEMBL15515897; SCHEMBL15516108; GTPL11666; BDBM197260; BDBM50589191; AKOS040756908; compound 11 [PMID: 35302767]; HY-132808; CS-0204055; US9090621, 125A; (2E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile; (alphaE,3R)-3-[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-alpha-(2,2-dimethylpropylidene)-beta-oxo-1-piperidinepropanenitrile; (E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile
Indication
Disease Entry ICD 11 Status REF
Atopic dermatitis EA80 Phase 2 [1]
Drug Type
Small molecule
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C30H30FN7O2
Canonical SMILES
CC(C)(C)C=C(C#N)C(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N
InChI
InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1
InChIKey
KZMQPYCXSAGLTB-ZWUNQBBJSA-N
Cross-matching ID
PubChem CID
73438222
ChEBI ID
CHEMBL4114766
TTD ID
DS6V8H
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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) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Atopic dermatitis
ICD Disease Classification EA80
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 (NCT04992546) A Randomized, Intra-patient, Double-blind, Placebo-controlled Study to Evaluate the Safety, Tolerability, and Pharmacokinetics of Topically Administered PRN473 (SAR444727) in Patients With Mild to Moderate Atopic Dermatitis. U.S.National Institutes of Health.
2 Preclinical Mechanisms of Topical PRN473, a Bruton Tyrosine Kinase Inhibitor, in Immune-Mediated Skin Disease Models. Immunohorizons. 2021 Jul 29;5(7):581-589.