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Ligand

NameCHEMBL232359
Molecular formulaC29H39ClN6O5
IUPAC name[(6R,9R,12S)-6-[(4-chlorophenyl)methyl]-7,10,13-trioxo-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]methylurea
Molecular weight587.118
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP3.2
Synonyms{[(5R,8R,11S)-5-[(4-chlorophenyl)methyl]-6,9,12-trioxo-8-(propan-2-yl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecin-11-yl]methyl}urea
BDBM50214271
SCHEMBL13392512
Inchi KeyBMHBWTHUOWRLMU-GIFXNVAJSA-N
Inchi IDInChI=1S/C29H39ClN6O5/c1-18(2)25-28(39)35-23(17-34-29(31)40)26(37)33-13-5-7-20-6-3-4-8-24(20)41-15-14-32-22(27(38)36-25)16-19-9-11-21(30)12-10-19/h3-4,6,8-12,18,22-23,25,32H,5,7,13-17H2,1-2H3,(H,33,37)(H,35,39)(H,36,38)(H3,31,34,40)/t22-,23+,25-/m1/s1
PubChem CID44432978
ChEMBLCHEMBL232359
IUPHARN/A
BindingDB50214271
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27462Motilin receptorO43193MLNRHomo sapiens (Human)412

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