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Name | az599 |
---|---|
Molecular formula | C25H35N3O4S |
IUPAC name | [5-ethylsulfonyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone |
Molecular weight | 473.632 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 3.1 |
Synonyms | KB-270804 910798-82-2 SCHEMBL3310279 CHEMBL1950351 ZINC43206729 [ Show all ] |
Inchi Key | UCMNIYFDRVBMFV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3 |
PubChem CID | 24894028 |
ChEMBL | CHEMBL1950351 |
IUPHAR | N/A |
BindingDB | 50364920 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
454937 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
333489 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
333477 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
333499 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
333496 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
333508 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
333472 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
333504 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
333493 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
333491 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
333507 | C-X-C chemokine receptor type 2 | P25025 | CXCR2 | Homo sapiens (Human) | 360 |
333485 | C-X-C chemokine receptor type 6 | O00574 | CXCR6 | Homo sapiens (Human) | 342 |
333492 | Calcitonin gene-related peptide type 1 receptor | Q16602 | CALCRL | Homo sapiens (Human) | 461 |
333469 | Cannabinoid receptor 1 | P20272 | Cnr1 | Rattus norvegicus (Rat) | 473 |
333481 | Cannabinoid receptor 1 | P47746 | Cnr1 | Mus musculus (Mouse) | 473 |
333488 | Cannabinoid receptor 1 | P21554 | CNR1 | Homo sapiens (Human) | 472 |
333506 | Cannabinoid receptor 2 | P34972 | CNR2 | Homo sapiens (Human) | 360 |
333483 | Corticotropin-releasing factor receptor 1 | P34998 | CRHR1 | Homo sapiens (Human) | 444 |
333495 | CX3C chemokine receptor 1 | P49238 | CX3CR1 | Homo sapiens (Human) | 355 |
333473 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
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