Details of the Drug

General Information of Drug (ID: DMH9RTV)

Drug Name
Omigapil
Synonyms Omigapil); CGP-3466; CGP-3499B; Neuroprotectant, Novartis; Neuroprotectant, Santhera; Nootropic agent, Novartis; Nootropicagent, Santhera; SNT-317; TCH-346; TCH-346B
Indication
Disease Entry ICD 11 Status REF
Lateral sclerosis 8B61 Phase 2 [1]
Muscular dystrophy 8C70 Phase 1 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 275.3
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H17NO
IUPAC Name
N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methylprop-2-yn-1-amine
Canonical SMILES
CN(CC#C)CC1=CC2=CC=CC=C2OC3=CC=CC=C31
InChI
InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3
InChIKey
QLMMOGWZCFQAPU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6419718
ChEBI ID
CHEBI:41778
CAS Number
181296-84-4
DrugBank ID
DB12879
TTD ID
D06KSV
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) TTUGSWA G3P_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 08 Disease of the nervous system
Disease Class ICD-11: 8A00 Parkinsonism
The Studied Tissue Cervical spinal cord
The Studied Disease Lateral sclerosis [ICD-11:8A00.0]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) DTT GAPDH 5.24E-01 -0.21 -0.24
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00649961) Melatonin As A Novel Neuroprotectant In Preterm Infants- Dosage Study. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Neuroprotection by pharmacologic blockade of the GAPDH death cascade. Proc Natl Acad Sci U S A. 2006 Mar 7;103(10):3887-9.