Detailed information for compound 152976
Basic information
Technical information
- TDR Targets ID: 152976
- Name: 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,5-a ][1,4]benzodiazepin-1-yl)-N,N-dimethylmethana mine
- MW: 351.833 | Formula: C19H18ClN5
-
H donors: 0
H acceptors: 2
LogP: 2.7
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: CN(Cc1nnc2n1c1ccc(cc1C(=NC2)c1ccccc1)Cl)C
- InChi: 1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
- InChiKey: GJSLOMWRLALDCT-UHFFFAOYSA-N
Network
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Synonyms
- Adinazolam
- Adinazolamum [Inn-Latin]
- 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
- 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethyl-methanamine
- (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl-dimethyl-amine
- 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethyl-methanamine
- (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-1-yl)methyl-dimethyl-amine
- 37115-32-5
- PDSP2_000520
- PDSP1_000522
- U-41123
- 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine, 8-chloro-N-N-dimethyl-6-phenyl-
- 8-Chloro-1-((dimethylamino)methyl)-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine
- Adinazolam [USAN:BAN:INN]
- Adinazolam [USAN]
- U 41,123
- U 41123
- Adinazolam (USAN/INN)
- D02770
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | vesicular amine transporter | 0.001 | 0.0065 | 0.5013 |
| Loa Loa (eye worm) | hypothetical protein | 0.0013 | 0.0129 | 0.0214 |
| Echinococcus multilocularis | neuroglian | 0.0013 | 0.0115 | 0.4393 |
| Plasmodium falciparum | peptide deformylase | 0.0524 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) | 0.0524 | 1 | 0.5 |
| Trypanosoma cruzi | polypeptide deformylase-like protein, putative | 0.02 | 0.3734 | 0.5 |
| Schistosoma mansoni | nephrin | 0.0013 | 0.0115 | 0.892 |
| Onchocerca volvulus | Tyrosine kinase homolog | 0.0154 | 0.2856 | 1 |
| Loa Loa (eye worm) | TK/KIN16 protein kinase | 0.0165 | 0.3067 | 1 |
| Schistosoma mansoni | Neurotrimin precursor (hNT) | 0.001 | 0.0065 | 0.5013 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0165 | 0.3067 | 1 |
| Echinococcus granulosus | roundabout 2 | 0.0016 | 0.0179 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0013 | 0.0129 | 1 |
| Trypanosoma cruzi | Peptide deformylase 2, putative | 0.02 | 0.3734 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0179 | 0.0381 |
| Echinococcus granulosus | twitchin | 0.0013 | 0.0115 | 0.4393 |
| Trypanosoma cruzi | polypeptide deformylase-like protein, putative | 0.02 | 0.3734 | 0.5 |
| Trypanosoma cruzi | Peptide deformylase 2, putative | 0.02 | 0.3734 | 0.5 |
| Mycobacterium leprae | PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) | 0.0524 | 1 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | peptide deformylase | 0.0524 | 1 | 0.5 |
| Treponema pallidum | polypeptide deformylase (def) | 0.0524 | 1 | 0.5 |
| Trypanosoma brucei | Polypeptide deformylase 1 | 0.02 | 0.3734 | 0.5 |
| Echinococcus granulosus | neurotracting:lsamp:neurotrimin:obcam | 0.0013 | 0.0129 | 0.5607 |
| Mycobacterium ulcerans | peptide deformylase | 0.0524 | 1 | 0.5 |
| Trypanosoma brucei | Peptide deformylase 2 | 0.02 | 0.3734 | 0.5 |
| Schistosoma mansoni | defective proboscis extension response (dpr)-related | 0.001 | 0.0065 | 0.5013 |
| Echinococcus granulosus | neuroglian | 0.0013 | 0.0115 | 0.4393 |
| Echinococcus multilocularis | roundabout 2 | 0.0016 | 0.0179 | 1 |
| Toxoplasma gondii | hypothetical protein | 0.0524 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0179 | 0.0381 |
| Leishmania major | polypeptide deformylase-like protein, putative | 0.02 | 0.3734 | 0.5 |
| Plasmodium vivax | peptide deformylase, putative | 0.0524 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Anticonvulsant activity (functional) | 0 | Virtual screen for compounds with anticonvulsant activity | ChEMBL. | 12873507 |
| CL (ADMET) | = 3.6 ml/min.kg | Hepatic clearance in human | ChEMBL. | 20070106 |
| CL (ADMET) | = 6.2 ml/min.kg | Total body clearance in human | ChEMBL. | 19445515 |
| CL (ADMET) | = 6.2 ml/min.kg | Total clearance in human | ChEMBL. | 20070106 |
| CL_renal (ADMET) | = 2.6 ml/min.kg | Renal clearance in human | ChEMBL. | 19445515 |
| CL_renal (ADMET) | = 2.6 ml/min.kg | Renal clearance in human | ChEMBL. | 20070106 |
| ED50 (functional) | = 0.11 mg kg-1 | Effect on the antagonism of nicotine-induced tonic-extensor convulsions (TE) in mice | ChEMBL. | 6103959 |
| ED50 (functional) | = 0.11 mg kg-1 | Tested for antagonism of nicotine-induced tonic extensor convulsions (TE) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 0.11 mg kg-1 | Effect on the antagonism of nicotine-induced tonic-extensor convulsions (TE) in mice | ChEMBL. | 6103959 |
| ED50 (functional) | = 0.11 mg kg-1 | Tested for antagonism of nicotine-induced tonic extensor convulsions (TE) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 0.13 mg kg-1 | Effect on the antagonism of nicotine-induced death (D) | ChEMBL. | 6103959 |
| ED50 (functional) | = 0.13 mg kg-1 | Tested for antagonism of nicotine-induced death (D) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 0.13 mg kg-1 | Effect on the antagonism of nicotine-induced death (D) | ChEMBL. | 6103959 |
| ED50 (functional) | = 0.13 mg kg-1 | Tested for antagonism of nicotine-induced death (D) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 0.7 mg kg-1 | Effect on the antagonism of bicuculline-induced tonic-extensor convulsions (B) | ChEMBL. | 6103959 |
| ED50 (functional) | = 0.7 mg kg-1 | Tested for antagonism of bicuculline-induced tonic-extensor convulsions (B) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 0.7 mg kg-1 | Effect on the antagonism of bicuculline-induced tonic-extensor convulsions (B) | ChEMBL. | 6103959 |
| ED50 (functional) | = 0.7 mg kg-1 | Tested for antagonism of bicuculline-induced tonic-extensor convulsions (B) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 0.9 mg kg-1 | Effect on the antagonism of pentylenetetrazole-induced clonic convulsions (P) | ChEMBL. | 6103959 |
| ED50 (functional) | = 0.9 mg kg-1 | Tested for antagonism of pentylenetetrazole-induced clonic convulsions (P) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 0.9 mg kg-1 | Effect on the antagonism of pentylenetetrazole-induced clonic convulsions (P) | ChEMBL. | 6103959 |
| ED50 (functional) | = 0.9 mg kg-1 | Tested for antagonism of pentylenetetrazole-induced clonic convulsions (P) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 1.6 mg kg-1 | Effect on the potentiation of gamma-butyrolactone-induced sleep (gamma-B) | ChEMBL. | 6103959 |
| ED50 (functional) | = 1.6 mg kg-1 | Tested for potentiation of gamma-butyrolactone induced sleep (gamma-B) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 1.6 mg kg-1 | Effect on the potentiation of gamma-butyrolactone-induced sleep (gamma-B) | ChEMBL. | 6103959 |
| ED50 (functional) | = 1.6 mg kg-1 | Tested for potentiation of gamma-butyrolactone induced sleep (gamma-B) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 5 mg kg-1 | Effect on the prolongation of hypoxic survival time (HS) | ChEMBL. | 6103959 |
| ED50 (functional) | = 5 mg kg-1 | Prolongation of hypoxic survival time (HS) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 5 mg kg-1 | Effect on the prolongation of hypoxic survival time (HS) | ChEMBL. | 6103959 |
| ED50 (functional) | = 5 mg kg-1 | Prolongation of hypoxic survival time (HS) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 5.3 mg kg-1 | Effect on the antagonism of oxotremorine-induced hypothermia (OX) | ChEMBL. | 6103959 |
| ED50 (functional) | = 5.3 mg kg-1 | Effect of test compound on the potentiation of apomorphine-induced gnawing (AG) in aggregated mice | ChEMBL. | 6103959 |
| ED50 (functional) | = 5.3 mg kg-1 | Tested for stereotyped gnawing and licking behavior of mice pretreated with apomorphine (AG) | ChEMBL. | 6103958 |
| ED50 (functional) | = 5.3 mg kg-1 | Tested for antagonism of oxotremorine hypothermia (OX) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 5.3 mg kg-1 | Effect on the antagonism of oxotremorine-induced hypothermia (OX) | ChEMBL. | 6103959 |
| ED50 (functional) | = 5.3 mg kg-1 | Effect of test compound on the potentiation of apomorphine-induced gnawing (AG) in aggregated mice | ChEMBL. | 6103959 |
| ED50 (functional) | = 5.3 mg kg-1 | Tested for stereotyped gnawing and licking behavior of mice pretreated with apomorphine (AG) | ChEMBL. | 6103958 |
| ED50 (functional) | = 5.3 mg kg-1 | Tested for antagonism of oxotremorine hypothermia (OX) in mice | ChEMBL. | 6103958 |
| ED50 (functional) | = 12.5 mg kg-1 | Effect on the potentiation of yohimbine-induced toxicity (Y) in aggregated mice | ChEMBL. | 6103959 |
| ED50 (functional) | = 12.5 mg kg-1 | Tested for potentiation of yohimbine toxicity in aggregated mice(Y) | ChEMBL. | 6103958 |
| ED50 (functional) | = 12.5 mg kg-1 | Effect on the potentiation of yohimbine-induced toxicity (Y) in aggregated mice | ChEMBL. | 6103959 |
| ED50 (functional) | = 12.5 mg kg-1 | Tested for potentiation of yohimbine toxicity in aggregated mice(Y) | ChEMBL. | 6103958 |
| ED50 (functional) | > 200 mg kg-1 | Anticonvulsant activity in ip dosed albino CF-1 mouse assessed as inhibition of strychnine-induced seizures | ChEMBL. | 31483 |
| Log 1/Km (ADMET) | = -1.9628 | log (1/Km) value for human liver microsome cytochrome P450 3A4 | ChEMBL. | 15990295 |
| Log 1/Km (ADMET) | = -1.9628 | log (1/Km) value for human liver microsome cytochrome P450 3A4 | ChEMBL. | 15990295 |
| Vdss (ADMET) | = 0.98 L/Kg | Volume of distribution at steady state in human | ChEMBL. | 20070106 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- Search by CAS
- ChEMBL: CHEMBL328250
- DrugBank: DB00546
- PubChem: 37632
Bibliographic References
4 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.