92S
1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
Find entries where: 92S
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one |
| Synonyms | lumateperone |
| Identifiers | 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one |
| Formula | C24 H28 F N3 O |
| Molecular Weight | 393.497 |
| Type | NON-POLYMER |
| Isomeric SMILES | CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F |
| InChI | InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1 |
| InChIKey | HOIIHACBCFLJET-SFTDATJTSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 57 |
| Chiral Atom Count | 2 |
| Bond Count | 61 |
| Aromatic Bond Count | 12 |
Drug Info: DrugBank
| DrugBank ID | DB06077? |
|---|---|
| Name | Lumateperone |
| Groups |
|
| Description | Schizophrenia is a complex mental illness and impacts approximately 1% of the population.[L10902] Although there are several antipsychotics including [aripiprazole], [paliperidone] and [clozapine] available for clinical use, they are generally accompanied by significant metabolic and/or neurological adverse effects.[A189093] Lumateperone is a newly approved 2nd generation antipsychotic currently indicated for the treatment of schizophrenia.[A189093] It has a unique receptor binding profile and differs from other antipsychotics in that it modulates glutamate, serotonin and dopamine, which are all neurotransmitters that contribute to the pathophysiology of schizophrenia.[A189093,A189174] The data so far indicates that lumateperone can alleviate both positive and negative symptoms of schizophrenia.[A189093] Further, not only is the new antipsychotic selective for dopamine (D2) receptors in the mesolimbic and mesocortical brain regions, but it also has minimal off-target activity.[A189093] Both characteristics lend to a more favourable adverse effect profile and ultimately safer drug.[A189093,L10908] |
| Synonyms |
|
| Brand Names | Caplyta |
| Indication | Lumateperone is approved for the treatment of schizophrenia in adults.[L10860] It is also approved for the treatment of depressive episodes associated with bipolar disorder (i.e. bipolar depression) in adults, as monotherapy and/or adjunctive therapy with lithium or valproate.[L10860] |
| Categories |
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| ATC-Code | N05AD10 |
| CAS number | 313368-91-1 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Sodium-dependent serotonin transporter | METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAV... | unknown | inhibitor |
| Glutamate receptor ionotropic, NMDA 2B | MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAI... | unknown | |
| 5-hydroxytryptamine receptor 2A | MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSE... | unknown | antagonist |
| Dopamine D2 receptor | MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVF... | unknown | partial agonist |
| Dopamine D1 receptor | MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIR... | unknown | |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL3306803 |
| PubChem | 21302490 |
| ChEMBL | CHEMBL3306803 |
