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Name | CHEMBL87079 |
---|---|
Molecular formula | C31H35N5O2 |
IUPAC name | (2S)-3-(1H-indol-3-yl)-2-methyl-2-(phenylcarbamoylamino)-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide |
Molecular weight | 509.654 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 4 |
XlogP | 5.4 |
Synonyms | BDBM50071752 (S)-3-(1H-Indol-3-yl)-2-methyl-2-(3-phenyl-ureido)-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide |
Inchi Key | KBRYXXQXNXKGKB-PMERELPUSA-N |
Inchi ID | InChI=1S/C31H35N5O2/c1-30(36-29(38)35-24-12-4-2-5-13-24,20-23-21-33-26-15-7-6-14-25(23)26)28(37)34-22-31(17-9-3-10-18-31)27-16-8-11-19-32-27/h2,4-8,11-16,19,21,33H,3,9-10,17-18,20,22H2,1H3,(H,34,37)(H2,35,36,38)/t30-/m0/s1 |
PubChem CID | 44321085 |
ChEMBL | CHEMBL87079 |
IUPHAR | N/A |
BindingDB | 50071752 |
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 |
---|---|---|---|---|---|
165318 | Gastrin-releasing peptide receptor | P30550 | GRPR | Homo sapiens (Human) | 384 |
165319 | Neuromedin-B receptor | P28336 | NMBR | Homo sapiens (Human) | 390 |
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