Details of the Drug

General Information of Drug (ID: DM5H8V1)

Drug Name

PF-06826647

Synonyms

Tyk2-IN-8; 2127109-84-4; Tyk2-IN-9; (1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)cyclobutane-1-carbonitrile; Ropsacitinib; Ropsacitinib [USAN]; UNII-HY5SOV7O0Q; HY5SOV7O0Q; CHEMBL4459585; SCHEMBL19253418; SCHEMBL19253420; SCHEMBL19271747; SCHEMBL19276506; BDBM305820; BDBM305821; BCP33615; EX-A4020; US10144738, Example 19; US10144738, Example 20; MFCD32197240; s9676; WHO 11834; HY-126290A; HY-126290; CS-0101462; CS-0114967; (1s,3s)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)cyclobutane-1-carbonitrile; Cyclobutaneacetonitrile, 3-cyano-1-(4-(6-(1-methyl-1H-pyrazol-4- yl)pyrazolo(1,5-a)pyrazin-4-yl)-1H-pyrazol-1-yl)-, trans-; trans-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)cyclobutanecarbonitrile; trans-3-Cyano-1-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)- 1H-pyrazol-1-yl)-cyclobutaneacetonitrile

Indication

Disease Entry	ICD 11	Status	REF
Plaque psoriasis	EA90.0	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

383.4

Logarithm of the Partition Coefficient (xlogp)

-0.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C20H17N9
IUPAC Name: 3-(cyanomethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
Canonical SMILES: CN1C=C(C=N1)C2=CN3C(=CC=N3)C(=N2)C4=CN(N=C4)C5(CC(C5)C#N)CC#N
InChI: InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3
InChIKey: XPLZTJWZDBFWDE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 130339268
CAS Number: 2127109-84-4
UNII: HY5SOV7O0Q
DrugBank ID: DB18709
TTD ID: D7TA4P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TYK2 tyrosine kinase (TYK2)	TTBYWP2	TYK2_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03210961) A First in Human Study to Evaluate Safety, Tolerability, and Pharmacology of PF-06826647 in Healthy Subjects and Subjects With Plaque Psoriasis. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)