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Name | CHEMBL3349466 |
---|---|
Molecular formula | C46H68N10O11S2 |
IUPAC name | (2S)-5-amino-2-[[(2S)-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-19-[(2S)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-22-(1H-indol-2-ylmethyl)-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid |
Molecular weight | 1001.23 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 11 |
XlogP | -1.4 |
Synonyms | N/A |
Inchi Key | DWTAMXHTYCZNJY-OJYNAKEJSA-N |
Inchi ID | InChI=1S/C46H68N10O11S2/c1-4-25(2)37-42(63)55-38(26(3)57)43(64)52-32(22-35(48)58)39(60)53-33(44(65)56-19-11-15-34(56)41(62)51-30(45(66)67)14-10-18-47)24-68-69-46(16-8-5-9-17-46)23-36(59)50-31(40(61)54-37)21-28-20-27-12-6-7-13-29(27)49-28/h6-7,12-13,20,25-26,30-34,37-38,49,57H,4-5,8-11,14-19,21-24,47H2,1-3H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,64)(H,53,60)(H,54,61)(H,55,63)(H,66,67)/t25-,26+,30-,31+,32-,33-,34-,37-,38-/m0/s1 |
PubChem CID | 118718385 |
ChEMBL | CHEMBL3349466 |
IUPHAR | N/A |
BindingDB | N/A |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
444456 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
444455 | Vasopressin V1a receptor | P30560 | Avpr1a | Rattus norvegicus (Rat) | 424 |
444454 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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