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Ligand

NameCHEMBL2419498
Molecular formulaC18H19Cl2N3O5S2
IUPAC nameethyl 5-chloro-6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate
Molecular weight492.386
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.0
SynonymsATMSUCFFJIUPRV-UHFFFAOYSA-N
5-Chloro-6-[4-[(5-chloro-2-thienylsulfonyl)carbamoyl]piperidino]nicotinic acid ethyl ester
BDBM50439269
Ethyl 5-chloro-6-[4-({[(5-chloro-2-thienyl)sulfonyl]amino}carbonyl)piperidin-1-yl]nicotinate
SCHEMBL4104644
Inchi KeyATMSUCFFJIUPRV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19Cl2N3O5S2/c1-2-28-18(25)12-9-13(19)16(21-10-12)23-7-5-11(6-8-23)17(24)22-30(26,27)15-4-3-14(20)29-15/h3-4,9-11H,2,5-8H2,1H3,(H,22,24)
PubChem CID11620159
ChEMBLCHEMBL2419498
IUPHARN/A
BindingDB50439269
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
14129P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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