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Ligand

NameCHEMBL3654203
Molecular formulaC17H17F2N5O
IUPAC nameN-(diaminomethylidene)-8-(3,5-difluoropyridin-2-yl)-5-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
Molecular weight345.354
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.9
SynonymsUS8962612, 60
BDBM148160
SCHEMBL16518308
Inchi KeyCLTGYVRNFWMWCO-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17F2N5O/c1-9-2-3-12(15-14(19)6-10(18)7-22-15)13-8-24(5-4-11(9)13)17(25)23-16(20)21/h2-3,6-7H,4-5,8H2,1H3,(H4,20,21,23,25)
PubChem CID60150900
ChEMBLCHEMBL3654203
IUPHARN/A
BindingDB148160
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
449865-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357

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