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Name | CHEMBL336690 |
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Molecular formula | C22H26FN3O2 |
IUPAC name | 2-methylpropyl N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]carbamate |
Molecular weight | 383.467 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50013179 N-[[5-(2-Fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin]-2-ylmethyl]carbamic acid isobutyl ester SCHEMBL9501135 ACRQLKKCZLFLPH-UHFFFAOYSA-N 1-methyl-2-[(2-methylpropoxy)carbonyl]aminomethyl-5-(2'-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine [ Show all ] |
Inchi Key | ACRQLKKCZLFLPH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H26FN3O2/c1-15(2)14-28-22(27)25-13-16-12-24-21(17-8-4-6-10-19(17)23)18-9-5-7-11-20(18)26(16)3/h4-11,15-16H,12-14H2,1-3H3,(H,25,27) |
PubChem CID | 19766222 |
ChEMBL | CHEMBL336690 |
IUPHAR | N/A |
BindingDB | 50013179 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
1847 | Cholecystokinin receptor type A | P30551 | Cckar | Rattus norvegicus (Rat) | 444 |
1848 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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