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Name | Terlipressin |
---|---|
Molecular formula | C52H74N16O15S2 |
IUPAC name | (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1227.38 |
Hydrogen bond acceptor | 19 |
Hydrogen bond donor | 16 |
XlogP | -5.8 |
Synonyms | CHEMBL2135460 DSSTox_RID_83146 J-008213 SCHEMBL22699 Terlipressine [ Show all ] |
Inchi Key | BENFXAYNYRLAIU-QSVFAHTRSA-N |
Inchi ID | InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 |
PubChem CID | 72081 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | DB02638 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
21741 | Vasopressin V1a receptor | P37288 | AVPR1A | Homo sapiens (Human) | 418 |
21739 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
21740 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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