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Name | CHEMBL264562 |
---|---|
Molecular formula | C61H74ClN11O9 |
IUPAC name | (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide |
Molecular weight | 1140.78 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 12 |
XlogP | 5.1 |
Synonyms | BDBM84643 BIM 23064 |
Inchi Key | XTEGECZSHMPPOM-NAKKXXTRSA-N |
Inchi ID | InChI=1S/C61H74ClN11O9/c1-36(2)53(61(82)72-49(31-39-16-8-5-9-17-39)57(78)67-37(3)54(65)75)73-56(77)48(20-12-13-29-63)68-60(81)52(34-42-35-66-47-19-11-10-18-45(42)47)71-59(80)51(33-41-23-27-44(74)28-24-41)70-58(79)50(32-40-21-25-43(62)26-22-40)69-55(76)46(64)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-53,66,74H,12-13,20,29-34,63-64H2,1-3H3,(H2,65,75)(H,67,78)(H,68,81)(H,69,76)(H,70,79)(H,71,80)(H,72,82)(H,73,77)/t37-,46-,48+,49+,50+,51+,52-,53+/m1/s1 |
PubChem CID | 10351281 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 84643 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
400291 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
557154 | Somatostatin receptor type 2 | P30875 | Sstr2 | Mus musculus (Mouse) | 369 |
400289 | Somatostatin receptor type 3 | P30935 | Sstr3 | Mus musculus (Mouse) | 428 |
400290 | Somatostatin receptor type 4 | P30937 | Sstr4 | Rattus norvegicus (Rat) | 384 |
400288 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
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