Drug Information

Drug General Information
Drug ID
D05EVI
Former ID
DNC011862
Drug Name
U-78875
Drug Type
Small molecular drug
Indication Anxiety disorder [ICD9: 300, 311; ICD10:F32, F40-F42] Discontinued in Phase 1 [544810]
Structure
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2D MOL

3D MOL
Formula
C18H17N5O2
Canonical SMILES
CC(C)N1C2=CC=CC=C2N3C=NC(=C3C1=O)C4=NOC(=N4)C5CC5
InChI
1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3
InChIKey
ZGEGOFCLSWVVKG-UHFFFAOYSA-N
PubChem Compound ID
3033821
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor Target Info Inhibitor [525465]
Gamma-aminobutyric acid receptor subunit gamma-2 Target Info Inhibitor [534209]
Gamma-aminobutyric acid receptor subunit beta-2 Target Info Inhibitor [534271]
Gamma-aminobutyric acid receptor subunit alpha-1 Target Info Inhibitor [525465]
KEGG Pathway Neuroactive ligand-receptor interaction
Retrograde endocannabinoid signaling
GABAergic synapse
Morphine addiction
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
Serotonergic synapse
Nicotine addiction
Reactome Ligand-gated ion channel transport
GABA A receptor activationR-HSA-975298:Ligand-gated ion channel transport
GABA A receptor activation
WikiPathways Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP2754:Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Iron uptake and transportWP706:SIDS Susceptibility Pathways
Iron uptake and transport
References
Ref 544810Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001194)
Ref 525465J Med Chem. 1999 Apr 8;42(7):1123-44.Piperazine imidazo[1,5-a]quinoxaline ureas as high-affinity GABAA ligands of dual functionality.
Ref 534209J Med Chem. 1996 Sep 13;39(19):3820-36.3-Phenyl-substituted imidazo[1,5-alpha]quinoxalin-4-ones and imidazo[1,5-alpha]quinoxaline ureas that have high affinity at the GABAA/benzodiazepine receptor complex.
Ref 534271J Med Chem. 1996 Nov 8;39(23):4654-66.High-affinity alpha-aminobutyric acid A/benzodiazepine ligands: synthesis and structure-activity relationship studies of a new series of tetracyclic imidazoquinoxalines.

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