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Ligand

NameCHEMBL2180077
Molecular formulaC38H48F3N11O8
IUPAC name2-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine;2,2,2-trifluoroacetic acid
Molecular weight843.866
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyCJRFPYRTUCUEQI-ICWQIYEDSA-N
Inchi IDInChI=1S/C36H47N11O6.C2HF3O2/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21;3-2(4,5)1(6)7/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42);(H,6,7)/t26-,27+,28+,29-;/m1./s1
PubChem CID71459177
ChEMBLCHEMBL2180077
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43637C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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