Details of the Drug

General Information of Drug (ID: DMH4ANG)

Drug Name
HMN-214
Synonyms N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidopyridin-4-yl)ethenyl]phenyl]acetamide; (E)-4-(2-(2-(N-Acetyl-N-((p-methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine 1-oxide
Indication
Disease Entry ICD 11 Status REF
Pancreatic cancer 2C10 Discontinued in Phase 1 [1]
Prostate cancer 2C82.0 Discontinued in Phase 1 [1]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 424.5
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H20N2O5S
IUPAC Name
N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]acetamide
Canonical SMILES
CC(=O)N(C1=CC=CC=C1/C=C/C2=CC=[N+](C=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H20N2O5S/c1-17(25)24(30(27,28)21-11-9-20(29-2)10-12-21)22-6-4-3-5-19(22)8-7-18-13-15-23(26)16-14-18/h3-16H,1-2H3/b8-7+
InChIKey
OCKHRKSTDPOHEN-BQYQJAHWSA-N
Cross-matching ID
PubChem CID
9888590
ChEBI ID
CHEBI:91440
CAS Number
173529-46-9
TTD ID
D0R7ID
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Polo-like kinase 1 (PLK1) TTIYVQP PLK1_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 Pancreatic cancer
ICD Disease Classification 2C10
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Polo-like kinase 1 (PLK1) DTT PLK1 4.16E-07 -0.38 -0.72
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010558)
2 Polo-like kinase (PLK) inhibitors in preclinical and early clinical development in oncology. Oncologist. 2009 Jun;14(6):559-70.