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Ligand

NameCHEMBL255644
Molecular formulaC28H31Cl2N5O
IUPAC name(3,5-dichloropyridin-4-yl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight524.49
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.2
SynonymsBDBM50234726
(3,5-dichloropyridin-4-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
Inchi KeyNEWOCKYIUSCKBX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31Cl2N5O/c1-28(11-16-33(17-12-28)27(36)26-24(29)19-32-20-25(26)30)34-14-9-22(10-15-34)35(21-6-3-2-4-7-21)23-8-5-13-31-18-23/h2-8,13,18-20,22H,9-12,14-17H2,1H3
PubChem CID44447734
ChEMBLCHEMBL255644
IUPHARN/A
BindingDB50234726
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
221654C-C chemokine receptor type 5P61814CCR5Macaca fascicularis (Crab-eating macaque)352
221655C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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