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Name | PD 168368 |
---|---|
Molecular formula | C31H34N6O4 |
IUPAC name | (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide |
Molecular weight | 554.651 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 5.2 |
Synonyms | MolPort-044-561-467 PD168368 (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide GTPL621 CHEMBL329650 [ Show all ] |
Inchi Key | AFDXUTWMFMAQJO-PMERELPUSA-N |
Inchi ID | InChI=1S/C31H34N6O4/c1-30(19-22-20-33-26-10-4-3-9-25(22)26,36-29(39)35-23-12-14-24(15-13-23)37(40)41)28(38)34-21-31(16-6-2-7-17-31)27-11-5-8-18-32-27/h3-5,8-15,18,20,33H,2,6-7,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1 |
PubChem CID | 9937534 |
ChEMBL | CHEMBL329650 |
IUPHAR | 621 |
BindingDB | 50071735 |
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 |
---|---|---|---|---|---|
4071 | Gastrin-releasing peptide receptor | P30550 | GRPR | Homo sapiens (Human) | 384 |
4072 | Neuromedin-B receptor | P28336 | NMBR | Homo sapiens (Human) | 390 |
553261 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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