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Ligand

NameCHEMBL3906376
Molecular formulaC37H35Cl2N7O2S2
IUPAC name1-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
Molecular weight744.754
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP9.7
SynonymsBDBM245376
SCHEMBL16782754
US9428504, 125
Inchi KeyAOYIMWONRDERHL-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H35Cl2N7O2S2/c1-36(2,3)19-45-16-14-37(15-17-45)20-46(31-27(47)12-9-22(30(31)37)32-40-24-10-8-21(38)18-28(24)49-32)26-7-5-4-6-23(26)41-34(48)44-35-42-25-11-13-29(39)43-33(25)50-35/h4-13,18,47H,14-17,19-20H2,1-3H3,(H2,41,42,44,48)
PubChem CID136992580
ChEMBLCHEMBL3906376
IUPHARN/A
BindingDB245376
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
557594P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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