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Name | NSC95090 |
---|---|
Molecular formula | C33H35N5O5 |
IUPAC name | N-(7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
Molecular weight | 581.673 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.0 |
Synonyms | BDBM86529 N-[(2-Methyl-3,6-dioxo-5-benzyl-10b-hydroxyoctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine)-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydro-4,7-diazaacephenanthrylene-9-carboxamide 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman # Ergotaman-3',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'.alpha.)- WLN: T C6656 1A P GN LM CUTT & & J G1 EVM-DT B565 CO EVN HVNTJ BQ D1 G1R [ Show all ] |
Inchi Key | XCGSFFUVFURLIX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39) |
PubChem CID | 3251 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 86529 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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388237 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
388228 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
388243 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
388225 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
388222 | 5-hydroxytryptamine receptor 1F | P30939 | HTR1F | Homo sapiens (Human) | 366 |
388235 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
388226 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
388221 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
388239 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
388231 | 5-hydroxytryptamine receptor 7 | P50407 | HTR7 | Cavia porcellus (Guinea pig) | 446 |
388240 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
388244 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
388238 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
388230 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
388234 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
388219 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
388242 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
388218 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
388229 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
388247 | D(1B) dopamine receptor | P21918 | DRD5 | Homo sapiens (Human) | 477 |
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