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]
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
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]
Molecular Interaction Atlas (MIA) 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) 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.