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Ligand

NameCHEMBL3138345
Molecular formulaC61H72Cl2O10
IUPAC name5-[1-[3-carboxy-4-[(4-carboxyphenyl)methoxy]-5-chlorophenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-[(4-carboxyphenyl)methoxy]-3-chlorobenzoic acid
Molecular weight1036.14
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP18.1
SynonymsN/A
Inchi KeyCBMYONLLLYUFIS-HVTBPORMSA-N
Inchi IDInChI=1S/C61H72Cl2O10/c1-35(2)8-6-9-36(3)49-22-23-50-46-21-20-44-28-37(24-26-60(44,4)51(46)25-27-61(49,50)5)10-7-11-45(42-29-47(58(68)69)54(52(62)31-42)72-33-38-12-16-40(17-13-38)56(64)65)43-30-48(59(70)71)55(53(63)32-43)73-34-39-14-18-41(19-15-39)57(66)67/h11-19,29-32,35-37,44,46,49-51H,6-10,20-28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)/t36?,37-,44?,46-,49+,50-,51-,60-,61+/m0/s1
PubChem CID76325897
ChEMBLCHEMBL3138345
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38015C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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