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Ligand

NameCHEMBL3288170
Molecular formulaC39H45Cl2F4N5O6
IUPAC name(2R)-N-[(2R)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl)-N,2-dimethylbutanamide;2,2,2-trifluoroacetic acid
Molecular weight826.712
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogPNone
SynonymsBDBM50020127
Inchi KeyBIMUNMUNYKAENM-OFCNLKHVSA-N
Inchi IDInChI=1S/C37H44Cl2FN5O4.C2HF3O2/c1-36(26-10-12-29(38)30(39)23-26,34(47)43(2)32(33(46)42-18-7-17-41)22-25-8-5-4-6-9-25)14-19-45-20-15-37(16-21-45)28-24-27(40)11-13-31(28)44(3)35(48)49-37;3-2(4,5)1(6)7/h4-6,8-13,23-24,32H,7,14-22,41H2,1-3H3,(H,42,46);(H,6,7)/t32-,36-;/m1./s1
PubChem CID90644634
ChEMBLCHEMBL3288170
IUPHARN/A
BindingDB50020127
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24565Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
24564Substance-P receptorP25103TACR1Homo sapiens (Human)407

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