Details of the Drug

General Information of Drug (ID: DMFUCZQ)

Drug Name

Delucemine

Synonyms

Delucemine hydrochloride; NPS-1506

Indication

Disease Entry	ICD 11	Status	REF
Depression	6A70-6A7Z	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

261.31

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H17F2N
IUPAC Name: 3,3-bis(3-fluorophenyl)-N-methylpropan-1-amine
Canonical SMILES: CNCCC(C1=CC(=CC=C1)F)C2=CC(=CC=C2)F
InChI: InChI=1S/C16H17F2N/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13/h2-7,10-11,16,19H,8-9H2,1H3
InChIKey: MUGNLPWYHGOJEG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	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 800009310)
2	NPS 1506, a novel NMDA receptor antagonist and neuroprotectant. Review of preclinical and clinical studies. Ann N Y Acad Sci. 1999;890:450-7.