Details of the Drug

General Information of Drug (ID: DM9JXMD)

Drug Name

KPT-9274

Synonyms

Pak4-IN-1; PAK4-IN-1; 1643913-93-2; UNII-9T56TV18X7; 9T56TV18X7; SCHEMBL16345416; SCHEMBL16348032; KPT9274; EX-A563; BCP10637; KPT 9274;KPT9274; ZINC253387914; AKOS030526635; CS-5146; SB19836; PAK4-IN-1 pound KPT9274 pound(c); NCGC00484085-01; HY-12793; J-690230; 2-Propenamide, 3-(6-amino-3-pyridinyl)-N-((5-(4-((4,4-difluoro-1-piperidinyl)carbonyl)phenyl)-7-(4-fluorophenyl)-2-benzofuranyl)methyl)-, (2E)-; 4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide; (E)-3-(6-aminopyridin-3-

Indication

Disease Entry	ICD 11	Status	REF
Non-hodgkin lymphoma	2B33.5	Phase 1	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

610.6

Logarithm of the Partition Coefficient (xlogp)

6.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C35H29F3N4O3
IUPAC Name: (E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
Canonical SMILES: C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)/C=C/C5=CN=C(C=C5)N)C6=CC=C(C=C6)F
InChI: InChI=1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+
InChIKey: MRFOPLWJZULAQD-SWGQDTFXSA-N

Cross-matching ID

PubChem CID: 117779453
CAS Number: 1643913-93-2
TTD ID: D04ZQB

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PAK-4 protein kinase (PAK4)	TT7Y3BZ	PAK4_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)