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Ligand

NameCHEMBL2336418
Molecular formulaC35H45ClN8O3
IUPAC nameN-[(2R)-3-(4-chloro-7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
Molecular weight661.248
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50430058
Inchi KeyAOBPSENKFBJNAZ-SSEXGKCCSA-N
Inchi IDInChI=1S/C35H45ClN8O3/c1-23-19-25(31(36)28-21-37-40-32(23)28)20-30(33(45)42-15-9-26(10-16-42)41-13-5-2-6-14-41)39-34(46)43-17-11-27(12-18-43)44-22-24-7-3-4-8-29(24)38-35(44)47/h3-4,7-8,19,21,26-27,30H,2,5-6,9-18,20,22H2,1H3,(H,37,40)(H,38,47)(H,39,46)/t30-/m1/s1
PubChem CID71569375
ChEMBLCHEMBL2336418
IUPHARN/A
BindingDB50430058
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
10103Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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