Details of the Drug

General Information of Drug (ID: DMZWFKQ)

Drug Name

OPC-14117

Synonyms

N-(7-Hydroxy-2,2,4,6-trimethylindan-1-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide; 7-Hydroxy-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamido]-2,2,4,6-tetramethylindan

Indication

Disease Entry	ICD 11	Status	REF
Neurological disorder	6B60	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

437.6

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C26H35N3O3
IUPAC Name: N-(7-hydroxy-2,2,4,6-tetramethyl-1,3-dihydroinden-1-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
Canonical SMILES: CC1=CC(=C(C2=C1CC(C2NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)OC)(C)C)O)C
InChI: InChI=1S/C26H35N3O3/c1-17-13-18(2)24(31)23-21(17)15-26(3,4)25(23)27-22(30)16-28-9-11-29(12-10-28)19-7-6-8-20(14-19)32-5/h6-8,13-14,25,31H,9-12,15-16H2,1-5H3,(H,27,30)
InChIKey: LYAUICDWKQJAGX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 59739
CAS Number: 103233-65-4
TTD ID: D0F4RX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Superoxide anion (SPA)	TTAD7UL	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00002148) Parallel Group, Placebo-Controlled, Tolerability, Safety, and Efficacy Study of OPC-14117 in HIV Dementia. U.S. National Institutes of Health.
2	Evaluation of superoxide scavenging activity of OPC-14117 by electron spin resonance technique. Free Radic Res Commun. 1991;15(4):223-30.