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Ligand

NameSCHEMBL9106401
Molecular formulaC17H11ClF2N4O
IUPAC name1-(2-chloro-4-fluorophenyl)-N-(diaminomethylidene)-4-fluoroisoquinoline-7-carboxamide
Molecular weight360.749
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsUS8853242, 151
CHEMBL3644529
BDBM135784
Inchi KeyCRRMCGPQPIPQCJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H11ClF2N4O/c18-13-6-9(19)2-4-11(13)15-12-5-8(16(25)24-17(21)22)1-3-10(12)14(20)7-23-15/h1-7H,(H4,21,22,24,25)
PubChem CID50923444
ChEMBLCHEMBL3644529
IUPHARN/A
BindingDB135784
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
490405-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357

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