General Information of Drug (ID: DMT6IUR)

Drug Name
MIRFENTANIL HYDROCHLORIDE
Synonyms A-3508 hydrochloride; ANQ-3508 HCl; Mirfentanil hydrochloride < Rec INNM; OHM-10579 (free base); N-(1-Phenethyl-4-piperidinyl)-N-(2-pyrazinyl)furan-2-carboxamide hydrochloride
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 412.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C22H25ClN4O2
IUPAC Name
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide;hydrochloride
Canonical SMILES
C1CN(CCC1N(C2=NC=CN=C2)C(=O)C3=CC=CO3)CCC4=CC=CC=C4.Cl
InChI
InChI=1S/C22H24N4O2.ClH/c27-22(20-7-4-16-28-20)26(21-17-23-11-12-24-21)19-9-14-25(15-10-19)13-8-18-5-2-1-3-6-18;/h1-7,11-12,16-17,19H,8-10,13-15H2;1H
InChIKey
KVCOVXMNIYUKBS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60697
CAS Number
119413-53-5
TTD ID
D0O0AH
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor mu (MOP) TTKWM86 OPRM_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pain
ICD Disease Classification MG30-MG3Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Opioid receptor mu (MOP) DTT OPRM1 5.94E-01 -0.02 -0.17
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 800003921)
2 Mirfentanil: pharmacological profile of a novel fentanyl derivative with opioid and nonopioid effects. J Pharmacol Exp Ther. 1991 Aug;258(2):502-10.