DELORAZEPAM
AlkaPlorer ID: AK353935
Synonym: None
IUPAC Name: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Structure
SMILES: OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2Cl)=NC1
InChI: InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
InChIKey: CHIFCDOIPRCHCF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum tuberosum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 305.16400000000004
TPSA？: 44.95
MolLogP？: 4.432400000000002
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Felis catus | Felis catus | log(1/MED) | 3.484 | None | 10.1021/jm00219a019 |
| Hepatitis B virus | Hepatitis B virus | IC50 | 76000.0 | nM | 10.1016/j.bmcl.2008.05.065 |
| Hepatitis B virus | Hepatitis B virus | IC50 | 4080000.0 | nM | 10.1016/j.bmcl.2008.05.065 |
| Homo sapiens | GABA-A receptor; anion channel | IC50 | 2.8 | nM | 10.1021/jm00351a009 |
| Homo sapiens | GABA-A receptor; anion channel | IC50 | 555904257.27 | nM | 10.1021/jm00004a017 |
| Homo sapiens | Translocator protein | IC50 | 555904257.27 | nM | 10.1021/jm960536o |
| Mus musculus | Mus musculus | ED50 | 0.26 | mg.kg-1 | 10.1021/jm00351a009 |
| Mus musculus | Mus musculus | ED50 | 2.0 | mg.kg-1 | 10.1021/jm00219a019 |
| Mus musculus | Mus musculus | log(1/ED50) | 0.4842 | None | 10.1021/jm00219a019 |
| Mus musculus | Mus musculus | log(1/ED50) | 2.882 | None | 10.1021/jm00219a019 |
| Mus musculus | Mus musculus | log(1/MED) | 0.8821 | None | 10.1021/jm00219a019 |
| Rattus norvegicus | Rattus norvegicus | Log 1/C | 2.509 | None | 10.1021/jm00176a016 |
| Rattus norvegicus | Rattus norvegicus | Log 1/C | 2.678 | None | 10.1021/jm00176a016 |
| Rattus norvegicus | Rattus norvegicus | Log 1/C | 2.79 | None | 10.1021/jm00176a016 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | ADMET | CC50 | 76000.0 | nM | 10.1016/j.bmcl.2008.05.065 |
| None | ADMET | CL | 0.17 | mL.min-1.kg-1 | 10.1124/dmd.108.020479 |
| None | ADMET | Drugexcretion | 0.4 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 0.9 | % | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 1.0 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 1.1 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 1.5 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 1.9 | % | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 2.5 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 2.7 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 2.8 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 3.0 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 3.7 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 3.8 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 4.2 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 5.3 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 7.3 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 9.2 | % | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 13.0 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 15.3 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 16.0 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 17.7 | % | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 19.9 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 28.5 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 46.8 | % | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 55.0 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 58.0 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drugexcretion | 60.5 | %ID | 10.1021/jm00190a016 |
| None | ADMET | Drug metabolism | 1.6 | mg.equiv | 10.1021/jm00190a016 |
| None | ADMET | Drug metabolism | 1.7 | mg.equiv | 10.1021/jm00190a016 |
| None | ADMET | Drug metabolism | 10.7 | mg.equiv | 10.1021/jm00190a016 |
| None | ADMET | Fu | 0.05 | None | 10.1021/jm030408h |
| None | ADMET | -Log C | 0.42 | mM kg-1 | 10.1021/jm00178a018 |
| None | ADMET | -Log C | 0.48 | mM kg-1 | 10.1021/jm00178a018 |
| None | ADMET | -Log C | 0.88 | mM kg-1 | 10.1021/jm00178a018 |
| None | ADMET | -Log C | 1.37 | mM kg-1 | 10.1021/jm00178a018 |
| None | ADMET | -Log C | 2.88 | mM kg-1 | 10.1021/jm00178a018 |
| None | ADMET | MRT | 220.0 | hr | 10.1124/dmd.108.020479 |
| None | ADMET | T1/2 | 200.0 | hr | 10.1124/dmd.108.020479 |
| None | ADMET | Vdss | 1.7 | L.kg-1 | 10.1021/jm030408h |
| None | ADMET | Vdss | 2.2 | L.kg-1 | 10.1124/dmd.108.020479 |
| None | NON-PROTEIN TARGET | Fu | 0.051 | None | 10.1124/dmd.108.020479 |
| None | No relevant target | log1/S0 | 3.97 | None | 10.1016/j.ejmech.2007.04.009 |
| None | No relevant target | LogP | 2.73 | None | 10.1021/jm00176a016 |
| None | No relevant target | pKa | nan | None | 10.1021/jm030408h |
| None | Unchecked | Anti-fighting behaviour | 5.18 | None | 10.1021/jm00171a037 |
| None | Unchecked | Anti-pent effect | 5.85 | None | 10.1021/jm00171a037 |
| None | Unchecked | Clined screen test | 3.48 | None | 10.1021/jm00171a037 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jmedchem.0c00298 |
| None | Unchecked | Ratio CC50/IC50 | 1.0 | None | 10.1016/j.bmcl.2008.05.065 |