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Ligand

NameSunitinib
Molecular formulaC22H27FN4O2
IUPAC nameN-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular weight398.482
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.6
SynonymsN-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
NSC750690
SR-00000000005-2
326914-13-0
5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid(2-diethylamino-ethyl)-amide
[ Show all ]
Inchi KeyWINHZLLDWRZWRT-ATVHPVEESA-N
Inchi IDInChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
PubChem CID5329102
ChEMBLN/A
IUPHARN/A
BindingDB4814
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
462424P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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