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Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
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Calculated Properties
Molecular Weight: 409.56
Molecular Weight (Monoisotopic): 409.1822
AlogP: ┄
#Rotatable Bonds: ┄
Polar Surface Area: ┄
Molecular Species: ┄
HBA: ┄
HBD: ┄
#RO5 Violations: ┄
HBA (Lipinski): ┄
HBD (Lipinski): ┄
#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄
CX Basic pKa: ┄
CX LogP: ┄
CX LogD: ┄
Aromatic Rings: ┄
Heavy Atoms: ┄
QED Weighted: ┄
Np Likeness Score: ┄
References
1.Liu R, Hu RJ, Zhang P, Skolnick P, Cook JM.. (1996) Synthesis and pharmacological properties of novel 8-substituted imidazobenzodiazepines: high-affinity, selective probes for alpha 5-containing GABAA receptors., 39 (9):[PMID:8627617][10.1021/jm950887n]
2.Huang Q, Liu R, Zhang P, He X, McKernan R, Gan T, Bennett DW, Cook JM.. (1998) Predictive models for GABAA/benzodiazepine receptor subtypes: studies of quantitative structure-activity relationships for imidazobenzodiazepines at five recombinant GABAA/benzodiazepine receptor subtypes [alphaxbeta3gamma2 (x = 1-3, 5, and 6)] via comparative molecular field analysis., 41 (21):[PMID:9767648][10.1021/jm980317y]
3.Li X, Cao H, Zhang C, Furtmueller R, Fuchs K, Huck S, Sieghart W, Deschamps J, Cook JM.. (2003) Synthesis, in vitro affinity, and efficacy of a bis 8-ethynyl-4H-imidazo[1,5a]- [1,4]benzodiazepine analogue, the first bivalent alpha5 subtype selective BzR/GABA(A) antagonist., 46 (26):[PMID:14667209][10.1021/jm034164c]
4.Huang Q, He X, Ma C, Liu R, Yu S, Dayer CA, Wenger GR, McKernan R, Cook JM.. (2000) Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach., 43 (1):[PMID:10633039][10.1021/jm990341r]