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Name | CHEMBL107382 |
---|---|
Molecular formula | C30H36F2N4O4 |
IUPAC name | N-[(2,5-difluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]piperidine-1-carboxamide |
Molecular weight | 554.639 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 4.0 |
Synonyms | 4-(4-{2-[(2S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic Acid 2,5-difluoro-benzylamide SCHEMBL7094866 ATODTSRMPBDUGC-MHZLTWQESA-N 4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid 2,5-difluoro-benzylamide BDBM50106985 [ Show all ] |
Inchi Key | ATODTSRMPBDUGC-MHZLTWQESA-N |
Inchi ID | InChI=1S/C30H36F2N4O4/c31-23-3-10-29(32)22(17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-4-1-21(2-5-24)11-14-33-19-27(38)20-40-28-8-6-26(37)7-9-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1 |
PubChem CID | 10209574 |
ChEMBL | CHEMBL107382 |
IUPHAR | N/A |
BindingDB | 50106985 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
14151 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
14152 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
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