Details of the Drug

General Information of Drug (ID: DM8RNSB)

Drug Name

WP1220

Synonyms

mol4239; MOL-4239; PTN9LJL6PY; UNII-PTN9LJL6PY; WP-1220; 2,4-Pentadienamide, 5-(6-bromo-2-pyridinyl)-2-cyano-N-((1S)-1-phenylethyl)-, (2E,4E)-; 1204306-34-2; SCHEMBL862248; SCHEMBL1316581; CHEMBL4594434; (2E,4E)-5-(6-Bromo-2-pyridinyl)-2-cyano-N-((1S)-1-phenylethyl)-2,4-pentadienamide; (2E,4E)-5-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]penta-2,4-dienamide

Indication

Disease Entry	ICD 11	Status	REF
Cutaneous T-cell lymphoma	2B01	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

382.3

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H16BrN3O
IUPAC Name: (2E,4E)-5-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]penta-2,4-dienamide
Canonical SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C=C/C2=NC(=CC=C2)Br)/C#N
InChI: InChI=1S/C19H16BrN3O/c1-14(15-7-3-2-4-8-15)22-19(24)16(13-21)9-5-10-17-11-6-12-18(20)23-17/h2-12,14H,1H3,(H,22,24)/b10-5+,16-9+/t14-/m0/s1
InChIKey: IVAUEQVCSQZMGV-QIUCFAMLSA-N

Cross-matching ID

PubChem CID: 44554865
CAS Number: 1204306-34-2
UNII: PTN9LJL6PY
DrugBank ID: DB16051
TTD ID: D3U8YR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Signal transducer and activator of transcription 3 (STAT3)	TTH8FZW	STAT3_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Cutaneous T-cell lymphoma

ICD Disease Classification

2B01

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Signal transducer and activator of transcription 3 (STAT3)	DTT	STAT3	6.50E-03	-0.12	-0.21

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04702503) Study of WP1220 for the Treatment of Adult Subjects With Cutaneous T-Cell Lymphoma (CTCL). U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of Moleculin Biotech.