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Ligand

NameCHEMBL2018358
Molecular formulaC34H42F2N6O4
IUPAC nameN-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3,4-difluorobenzamide
Molecular weight636.745
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.8
SynonymsSCHEMBL13052692
BDBM50380838
Inchi KeyCHNMSYYZAVNMRF-PMERELPUSA-N
Inchi IDInChI=1S/C34H42F2N6O4/c35-27-9-8-23(20-28(27)36)32(44)37-30(33(45)41-18-10-25(11-19-41)39-14-4-1-5-15-39)21-31(43)40-16-12-26(13-17-40)42-22-24-6-2-3-7-29(24)38-34(42)46/h2-3,6-9,20,25-26,30H,1,4-5,10-19,21-22H2,(H,37,44)(H,38,46)/t30-/m0/s1
PubChem CID58864477
ChEMBLCHEMBL2018358
IUPHARN/A
BindingDB50380838
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42152Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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