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Name | Cipargamin |
---|---|
Molecular formula | C19H14Cl2FN3O |
IUPAC name | (3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one |
Molecular weight | 390.239 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | (1R,3S)-5,7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro[indoline-3,1-pyrido[3,4-b]indol]-2-one BDBM50318666 DTXSID70152424 NITD-609 1252008-89-1 [ Show all ] |
Inchi Key | CKLPLPZSUQEDRT-WPCRTTGESA-N |
Inchi ID | InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1 |
PubChem CID | 44469321 |
ChEMBL | CHEMBL1082723 |
IUPHAR | N/A |
BindingDB | 50318666 |
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 |
---|---|---|---|---|---|
44187 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
44224 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
44205 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
44211 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
44208 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
443414 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
44198 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
44227 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
44229 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
44210 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
44231 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
44214 | B2 bradykinin receptor | P30411 | BDKRB2 | Homo sapiens (Human) | 391 |
44196 | Beta-1 adrenergic receptor | P08588 | ADRB1 | Homo sapiens (Human) | 477 |
44185 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
44194 | Beta-3 adrenergic receptor | P13945 | ADRB3 | Homo sapiens (Human) | 408 |
44188 | Cannabinoid receptor 1 | P21554 | CNR1 | Homo sapiens (Human) | 472 |
44207 | Cholecystokinin receptor type A | P32238 | CCKAR | Homo sapiens (Human) | 428 |
44225 | Corticotropin-releasing factor receptor 1 | P34998 | CRHR1 | Homo sapiens (Human) | 444 |
44192 | Corticotropin-releasing factor receptor 2 | Q13324 | CRHR2 | Homo sapiens (Human) | 411 |
44199 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
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