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Ligand

NameCHEMBL205851
Molecular formulaC28H35Cl2FN4O2
IUPAC name1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-(4-fluoroanilino)piperidin-1-yl]propyl]piperidine-4-carboxamide
Molecular weight549.512
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.2
Synonyms4-Piperidinecarboxamide, 1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)amino]-1-piperidinyl]propyl]-
BDBM50185965
1-Acetyl-N-(3,4-dichlorophenyl)-N-{3-[4-(4-fluoroanilino)-1-piperidinyl]propyl}-4-piperidinecarboxamide
SCHEMBL4768836
1-acetyl-N-(3,4-dichlorophenyl)-N-{3-[4-(4-fluoroanilino)piperidin-1-yl]propyl}piperidine-4-carboxamide
[ Show all ]
Inchi KeyAQKXSWOKSKKJQI-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35Cl2FN4O2/c1-20(36)34-17-9-21(10-18-34)28(37)35(25-7-8-26(29)27(30)19-25)14-2-13-33-15-11-24(12-16-33)32-23-5-3-22(31)4-6-23/h3-8,19,21,24,32H,2,9-18H2,1H3
PubChem CID11693007
ChEMBLCHEMBL205851
IUPHARN/A
BindingDB50185965
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
11870C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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