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Ligand

NameUPCMLD00CSF70-1-1
Molecular formulaC31H35ClN2O3
IUPAC namemethyl 4-benzoyl-9-[2-(4-chlorophenyl)ethyl]-3,7-dimethyl-10-propyl-4,9-diazatricyclo[6.3.0.02,6]undeca-1(8),10-diene-3-carboxylate
Molecular weight519.082
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.2
SynonymsCHEMBL1453216
CMLD1_000033
NCGC00074613-01
SDCCGMLS-0091446.P001
Inchi KeyAHFOZRIQKCRHCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35ClN2O3/c1-5-9-24-18-25-27-26(20(2)28(25)33(24)17-16-21-12-14-23(32)15-13-21)19-34(31(27,3)30(36)37-4)29(35)22-10-7-6-8-11-22/h6-8,10-15,18,20,26-27H,5,9,16-17,19H2,1-4H3
PubChem CID5459457
ChEMBLCHEMBL1453216
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
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GLASS IDNameUniProtGeneSpeciesLength
5504Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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