Details of the Drug

General Information of Drug (ID: DM81SDB)

Drug Name

Niravoline

Synonyms

AC1L24CB; AC1Q1ZY1; N-methyl-2-(3-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

379.5

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H25N3O3
IUPAC Name: N-methyl-2-(3-nitrophenyl)-N-[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide
Canonical SMILES: CN([C@@H]1[C@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H25N3O3/c1-23(21(26)14-16-7-6-9-18(13-16)25(27)28)22-19-10-3-2-8-17(19)15-20(22)24-11-4-5-12-24/h2-3,6-10,13,20,22H,4-5,11-12,14-15H2,1H3/t20-,22-/m0/s1
InChIKey: ZSDAQBWGAOKTSI-UNMCSNQZSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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 kappa (OPRK1)	DTT	OPRK1	9.17E-01	0.04	0.1

Molecular Expression Atlas (MEA)

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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 800003260)
2	Effect of niravoline (RU51599), a kappa-opioid receptor agonist, on tumour-origin brain oedema. Acta Neurochir (Wien). 1999;141(7):771-8.