Details of the Drug

General Information of Drug (ID: DMGUMWP)

Drug Name

U-80816

Indication

Disease Entry	ICD 11	Status	REF
Amnesia	MB21.1	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

216.28

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H16N2O
IUPAC Name: 1-[4-(2-methylpyrrol-1-yl)but-2-ynyl]pyrrolidin-2-one
Canonical SMILES: CC1=CC=CN1CC#CCN2CCCC2=O
InChI: InChI=1S/C13H16N2O/c1-12-6-4-10-14(12)8-2-3-9-15-11-5-7-13(15)16/h4,6,10H,5,7-9,11H2,1H3
InChIKey: RBCXUJODVKKGBN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor (CHRM)	TTOXS3C	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction 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 800001336)
2	U-80816: A novel partial muscarinic agonist. Drug Development Research Volume 24, Issue 1, pages 53-66, 1991.