Loprazolam

ID	MW	HBD	HBA
3033860	464.9	0	3

RB	NOA	Rings	logP
2	9	5	2.93

Function

DrugBank ID:

DB13643

Description:

Loprazolam is an imidazobenzodiazepine with anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties. It is indicated for the short-term treatment of insomnia including difficulty in falling asleep and/or frequent nocturnal awakenings. Loprazolam is recommended as a short-term therapy only, due to adverse events associated with the drug including dependence and withdrawal symptoms. It is a positive modulator of GABA-A receptor that enhances the inhibitory neurotransmission. It is not an FDA-approved drug. [DrugBank]

Targets:

GABA(A) Receptor (Humans); GABA(A) Receptor Benzodiazepine Binding Site (Humans) [DrugBank]

Pharmacodynamics:

Not Available [DrugBank]

Structures

SMILES:

CN1CCN(/C=C2\N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1

2D structures:

3D structures:

Docking in target protein

Off-target analysis based on homologus proteins (Homo sapiens)

Homologus protein	Vina score	Identity	Uniprot ID	Download
TMPRSS9	-9.5	43%	Q7Z410	Ligand Receptor
PKK	-9.4	42%	P03952	Ligand Receptor
Tryptase_gamma	-8.6	39%	Q9NRR2	Ligand Receptor
TMPRSS11E	-8.5	42%	Q9UL52	Ligand Receptor
TMPRSS11B	-8.4	39%	Q86T26	Ligand Receptor
Ovochymase-1	-8.1	41%	Q7RTY7	Ligand Receptor
TMPRSS4	-8.1	43%	Q9NRS4	Ligand Receptor
Testisin	-8.0	39%	Q9Y6M0	Ligand Receptor
CTRL-1	-7.9	39%	P40313	Ligand Receptor
TMPRSS11D	-7.9	43%	O60235	Ligand Receptor
Chymotrypsinogen-B2	-7.8	39%	Q6GPI1	Ligand Receptor
Acrosin	-7.7	40%	P10323	Ligand Receptor
TMPRSS3	-7.7	47%	P57727	Ligand Receptor
TMPRSS5	-7.6	44%	Q9H3S3	Ligand Receptor
PRSS56	-7.5	42%	P0CW18	Ligand Receptor
TMPRSS13	-6.9	39%	Q9BYE2	Ligand Receptor
Chymotrypsinogen-B	-6.4	40%	Q9CR35	Ligand Receptor

Off-target analysis based on ligand similarity (Homo sapiens)

Step 1 - Target prediction for Loprazolam: SwissTargetPrediction

Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Loprazolam in the SMILES input box.

Step 2 - Blind docking for Loprazolam: CB-Dock

Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Loprazolam to perform blind docking.

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