Details of the Drug

General Information of Drug (ID: DMTSM61)

Drug Name
Oxymorphone semicarbazone hydrochloride
Synonyms CHEMBL1202432; Oxymorphone Semicarbazone HCl
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 394.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C18H23ClN4O4
IUPAC Name
[(Z)-[(4aS,7aR)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]urea;hydrochloride
Canonical SMILES
CN1CCC23[C@@H]4/C(=N\\NC(=O)N)/CC[C@]2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl
InChI
InChI=1S/C18H22N4O4.ClH/c1-22-7-6-17-13-9-2-3-11(23)14(13)26-15(17)10(20-21-16(19)24)4-5-18(17,25)12(22)8-9;/h2-3,12,15,23,25H,4-8H2,1H3,(H3,19,21,24);1H/b20-10-;/t12?,15-,17?,18+;/m0./s1
InChIKey
QIYGMMZVSGQNFS-XVSNUZMHSA-N
Cross-matching ID
PubChem CID
49860169
TTD ID
D0YK5E

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor kappa (OPRK1) TTQW87Y OPRK_HUMAN Inhibitor [1]
Opioid receptor mu (MOP) TTKWM86 OPRM_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Opioid receptor kappa (OPRK1) DTT OPRK1 9.17E-01 0.04 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Peptides as receptor selectivity modulators of opiate pharmacophores. J Med Chem. 1986 Jul;29(7):1222-5.