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Ligand

NameCHEMBL464509
Molecular formulaC20H23N5O2S
IUPAC name2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-phenylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide
Molecular weight397.497
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.6
SynonymsSCHEMBL13208124
BDBM50248547
(R)-2-hydroxy-N,N-dimethyl-3-(4-(1-phenylpropylamino)-1,2,5-thiadiazol-3-ylamino)benzamide
N,N-Dimethyl-2-hydroxy-3-[4-[[(R)-1-phenylpropyl]amino]-1,2,5-thiadiazole-3-ylamino]benzamide
Inchi KeyBIKNKROBNQQGKU-OAHLLOKOSA-N
Inchi IDInChI=1S/C20H23N5O2S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-28-23-18)22-16-12-8-11-14(17(16)26)20(27)25(2)3/h5-12,15,26H,4H2,1-3H3,(H,21,23)(H,22,24)/t15-/m1/s1
PubChem CID135814570
ChEMBLCHEMBL464509
IUPHARN/A
BindingDB50248547
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558028C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
558027C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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