iso-Diazepam
| Internal ID | 2cda9777-c984-4d0c-9af8-17e8bfb713d8 |
| Taxonomy | Organoheterocyclic compounds > Benzodiazepines > 1,4-benzodiazepines |
| IUPAC Name | 7-chloro-1-methyl-5-phenyl-5H-1,4-benzodiazepin-2-one |
| SMILES (Canonical) | CN1C2=C(C=C(C=C2)Cl)C(N=CC1=O)C3=CC=CC=C3 |
| SMILES (Isomeric) | CN1C2=C(C=C(C=C2)Cl)C(N=CC1=O)C3=CC=CC=C3 |
| InChI | InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-10,16H,1H3 |
| InChI Key | CCSFPIBRCHLPFY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H13ClN2O |
| Molecular Weight | 284.74 g/mol |
| Exact Mass | 284.0716407 g/mol |
| Topological Polar Surface Area (TPSA) | 32.70 Ų |
| XlogP | 2.70 |
| SCHEMBL5222768 |
| CCSFPIBRCHLPFY-UHFFFAOYSA-N |
| 7-Chloro-1-methyl-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one # |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.68% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.63% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.45% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 90.07% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 89.11% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.95% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.62% | 86.92% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.93% | 85.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.43% | 90.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.40% | 94.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.57% | 94.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.79% | 91.00% |
| CHEMBL4531 | P17931 | Galectin-3 | 80.14% | 96.90% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.12% | 91.49% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Solanum tuberosum |
| PubChem | 613611 |
| LOTUS | LTS0113203 |
| wikiData | Q105102258 |