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Name | CHEMBL1083875 |
---|---|
Molecular formula | C36H44N4O3S |
IUPAC name | N-[1-[[(2S)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide |
Molecular weight | 612.833 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 6.5 |
Synonyms | BDBM50415938 |
Inchi Key | DWAKMFFRASTKTH-HKBQPEDESA-N |
Inchi ID | InChI=1S/C36H44N4O3S/c1-27-11-12-30-24-33(44-32(30)22-27)34(41)38-36(14-5-6-15-36)35(42)37-31(23-28-8-3-2-4-9-28)10-7-16-39-17-19-40(20-18-39)25-29-13-21-43-26-29/h2-4,8-9,11-13,21-22,24,26,31H,5-7,10,14-20,23,25H2,1H3,(H,37,42)(H,38,41)/t31-/m0/s1 |
PubChem CID | 46237445 |
ChEMBL | CHEMBL1083875 |
IUPHAR | N/A |
BindingDB | 50415938 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
70430 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
70431 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
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