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Ligand

NameCHEMBL362536
Molecular formulaC19H23ClN4O2S
IUPAC nameN'-[2-[3-[(4-chlorophenyl)methylamino]pyrrolidin-1-yl]acetyl]-4-methylthiophene-2-carbohydrazide
Molecular weight406.929
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50153954
4-Methyl-thiophene-2-carboxylic acid N''''-{2-[3-(4-chloro-benzylamino)-pyrrolidin-1-yl]-acetyl}-hydrazide
Inchi KeyADQWNJNQMVFWIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23ClN4O2S/c1-13-8-17(27-12-13)19(26)23-22-18(25)11-24-7-6-16(10-24)21-9-14-2-4-15(20)5-3-14/h2-5,8,12,16,21H,6-7,9-11H2,1H3,(H,22,25)(H,23,26)
PubChem CID44395238
ChEMBLCHEMBL362536
IUPHARN/A
BindingDB50153954
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
2988C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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