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keemiline ühend

Välised allikad

Freebase
/m/06w751w
Reaxys registry number
7061533[1]
PubChem CID
107780[2][3]
MeSH descriptor ID
C090701[4]
UniChem compound ID
92320[5]
Guide to Pharmacology Ligand ID
14[6]
DSSTox substance ID
DTXSID90164044[7][3]
CAS Registry Number
148672-13-3[8][9]
InChI
InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)[2]
ChemSpider ID
96935[10]
DSSTOX compound identifier
DTXCID2086535
ChEMBL ID
CHEMBL15928[11]
Microsoft Academic ID
2777956734
ChEBI ID
64114[11][12]

mapping relation type: täpne vaste

InChIKey
YDBCEBYHYKAFRX-UHFFFAOYSA-N[2][13]
Probes And Drugs ID
PD016887
Human Metabolome Database ID
HMDB0244655[14][3]
UNII
2LLH6CEB40[8][3]

üksikjuht nähtusest

type of chemical entity

mille alamklass

keemiline ühend

keemiline struktuur

mass/kaal

497,24269±0 aatommassiühik[15]

chemical formula

C₂₉H₃₁N₅O₃[2]

canonical SMILES

CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)N5CCN(CC5)C[2]

physically interacts with

5-hydroxytryptamine receptor 1A[16]

subjektil on roll: Agonist

5-hydroxytryptamine receptor 1B[16]

subjektil on roll: Agonist

5-hydroxytryptamine receptor 1D[16]

subjektil on roll: Agonist

5-hydroxytryptamine receptor 1E[16]

subjektil on roll: Agonist

5-hydroxytryptamine receptor 1F[16]

subjektil on roll: Agonist

5-hydroxytryptamine receptor 2A[16]

subjektil on roll: Agonist

5-hydroxytryptamine receptor 2B[16]

subjektil on roll: Agonist

5-hydroxytryptamine receptor 2C[16]

subjektil on roll: Agonist

5-hydroxytryptamine receptor 6[16]

subjektil on roll: Agonist

subjektil on roll

serotonin antagonist[17]

Viited

  1. ↑ ChEBI, 3. oktoober 2016, inglise keel, GR 127935, 64114
  2. ↑ 2,0 2,1 2,2 2,3 2,4 PubChem, 20. november 2016, inglise keel, 107780, 148672-13-3
  3. ↑ 3,0 3,1 3,2 3,3 YDBCEBYHYKAFRX-UHFFFAOYSA-N, InChIKey
  4. ↑ Medical Subject Headings, 14. märts 2018, C090701
  5. ↑ UniChem
  6. ↑ IUPHAR/BPS Guide to PHARMACOLOGY, 20. november 2016, inglise keel, 14, GR 127935
  7. ↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
  8. ↑ 8,0 8,1 Global Substance Registration System, 20. november 2016, inglise keel, gr-127935, 2LLH6CEB40
  9. ↑ CAS Common Chemistry, 10. aprill 2021, YDBCEBYHYKAFRX-UHFFFAOYSA-N, https://commonchemistry.cas.org/detail?cas_rn=148672-13-3
  10. ↑ ChemSpider, 3. oktoober 2016, inglise keel, 96935, N-[4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-4-biphenylcarboxamide
  11. ↑ 11,0 11,1 ChEMBL, 20. november 2016, inglise keel, GR-127935, CHEMBL15928
  12. ↑ International Chemical Identifier, InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
  13. ↑ ChEBI release 2020-09-01
  14. ↑ inferred from InChIKey
  15. ↑ PubChem, 3. oktoober 2016, inglise keel, 107780, 148672-13-3
  16. ↑ 16,0 16,1 16,2 16,3 16,4 16,5 16,6 16,7 16,8 IUPHAR/BPS Guide to PHARMACOLOGY, 17. august 2016, 14, inglise keel
  17. ↑ Medical Subject Headings, 15. märts 2018, C090701
Pärit leheküljelt "https://et.wikipedia.org/wiki/Eri:AboutTopic/Q5514387"