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
TTD ID: DS6V8H

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

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)

MEA Detail

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.