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Name | Ergocryptine |
---|---|
Molecular formula | C32H41N5O5 |
IUPAC name | (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-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 | 575.71 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.7 |
Synonyms | Prestwick2_000727 UNII-6WFB60157B 12 inverted exclamation marka-Hydroxy-2 inverted exclamation marka-(1-methylethyl)-5 inverted exclamation marka-|A-(2-methylpropyl)ergotaman-3 inverted exclamation marka,6 inverted exclamation marka,18-trione 6WFB60157B BPBio1_001360 [ Show all ] |
Inchi Key | YDOTUXAWKBPQJW-NSLWYYNWSA-N |
Inchi ID | InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1 |
PubChem CID | 134551 |
ChEMBL | CHEMBL1403281 |
IUPHAR | 271 |
BindingDB | 50390993 |
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 |
---|---|---|---|---|---|
407513 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
407502 | 5-hydroxytryptamine receptor 1B | P28564 | Htr1b | Rattus norvegicus (Rat) | 386 |
407503 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
407508 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
407504 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
407521 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
555311 | 5-hydroxytryptamine receptor 6 | P31388 | Htr6 | Rattus norvegicus (Rat) | 436 |
457873 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
407507 | Alpha-1B adrenergic receptor | P15823 | Adra1b | Rattus norvegicus (Rat) | 515 |
407517 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
407515 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
407520 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
407514 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
407518 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
407516 | Cholecystokinin receptor type A | O08786 | Cckar | Mus musculus (Mouse) | 436 |
407519 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
407510 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
407509 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
407511 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
407506 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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