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Ligand

NameCHEMBL397717
Molecular formulaC39H36F6N4O2S
IUPAC nameN-[4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-oxobutan-2-yl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
Molecular weight738.793
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP7.8
SynonymsBDBM50198139
N-{4-[1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]propyl]-1,3-thiazol-2-yl}bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
Inchi KeyRLNPOKFCWGHIDM-NRUNXBEZSA-N
Inchi IDInChI=1S/C39H36F6N4O2S/c1-23-21-49(15-13-37(23)12-10-25-6-3-5-9-32(25)37)14-11-30(33-22-52-36(47-33)48-35(51)31-18-26-7-2-4-8-29(26)31)34(50)46-20-24-16-27(38(40,41)42)19-28(17-24)39(43,44)45/h2-10,12,16-17,19,22-23,30-31H,11,13-15,18,20-21H2,1H3,(H,46,50)(H,47,48,51)/t23-,30?,31?,37+/m0/s1
PubChem CID44425322
ChEMBLCHEMBL397717
IUPHARN/A
BindingDB50198139
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
299169C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
299170C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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