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Name | BTM-1086 |
---|---|
Molecular formula | C21H25N3OS |
IUPAC name | (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one |
Molecular weight | 367.511 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 2.7 |
Synonyms | BTM-1041 YGOYABDTPZVXLE-XLIONFOSSA-N (2R,3S)-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS_87687-13-6 BDBM82379 [ Show all ] |
Inchi Key | YGOYABDTPZVXLE-XLIONFOSSA-N |
Inchi ID | InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)/t17-,20+/m1/s1 |
PubChem CID | 126374 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 82379 |
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 |
---|---|---|---|---|---|
409676 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
409677 | Muscarinic acetylcholine receptor M2 | P10980 | Chrm2 | Rattus norvegicus (Rat) | 466 |
409674 | Muscarinic acetylcholine receptor M3 | P08483 | Chrm3 | Rattus norvegicus (Rat) | 589 |
409675 | Muscarinic acetylcholine receptor M4 | P17200 | CHRM4 | Gallus gallus (Chicken) | 490 |
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