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Ligand

NameCHEMBL564068
Molecular formulaC23H23N3O4
IUPAC nameN-cyclopropyl-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzamide
Molecular weight405.454
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP4.0
SynonymsBDBM50297754
SCHEMBL12262862
(R)-N-cyclopropyl-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1-enylamino)-2-hydroxybenzamide
Inchi KeyBAQJILMZQRBQSL-MRXNPFEDSA-N
Inchi IDInChI=1S/C23H23N3O4/c1-2-16(13-7-4-3-5-8-13)25-18-19(22(29)21(18)28)26-17-10-6-9-15(20(17)27)23(30)24-14-11-12-14/h3-10,14,16,25-27H,2,11-12H2,1H3,(H,24,30)/t16-/m1/s1
PubChem CID45272020
ChEMBLCHEMBL564068
IUPHARN/A
BindingDB50297754
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
19077C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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