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Name | CHEMBL348976 |
---|---|
Molecular formula | C33H45N5O3 |
IUPAC name | N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-cyclohexylpiperazin-1-yl)acetamide |
Molecular weight | 559.755 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.3 |
Synonyms | N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide SCHEMBL6299830 BDBM50049309 LY-306740 170567-08-5 |
Inchi Key | HCKQHXNWJMHBJT-MUUNZHRXSA-N |
Inchi ID | InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h6-10,13-15,21,28-29,34H,3-5,11-12,16-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1 |
PubChem CID | 9850771 |
ChEMBL | CHEMBL348976 |
IUPHAR | N/A |
BindingDB | 50049309 |
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 |
---|---|---|---|---|---|
111391 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
111392 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
111393 | Substance-P receptor | P30548 | Tacr1 | Mus musculus (Mouse) | 407 |
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