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Ligand

NameCHEMBL416835
Molecular formulaC24H28FN3O
IUPAC nameN-[4-[(2S,7R)-4,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),11(15),12-trien-4-yl]butyl]-4-fluorobenzamide
Molecular weight393.506
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50115065
N-[4-[(6aR)-4,5,6abeta,7,8,9,10,10abeta-Octahydropyrido[4,3-b]pyrrolo[3,2,1-hi]indole-9-yl]butyl]-4-fluorobenzamide
4-Fluoro-N-[(6aR,10aS)-4-(4,5,7,8,10,10a-hexahydro-6aH-pyrido[4,3-b]pyrrolo[3,2,1-hi]indol-9-yl)-butyl]-benzamide
Inchi KeyACSDIWKSDYFXHI-FGZHOGPDSA-N
Inchi IDInChI=1S/C24H28FN3O/c25-19-8-6-18(7-9-19)24(29)26-12-1-2-13-27-14-11-22-21(16-27)20-5-3-4-17-10-15-28(22)23(17)20/h3-9,21-22H,1-2,10-16H2,(H,26,29)/t21-,22-/m1/s1
PubChem CID44295259
ChEMBLCHEMBL416835
IUPHARN/A
BindingDB50115065
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1863C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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