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Ligand

NameCHEMBL2035985
Molecular formulaC31H29ClF2N6O3
IUPAC name2-[(8R)-8-(4-chloro-3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
Molecular weight607.059
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50385311
Inchi KeyOPTPGWMNIOROHR-KYJUHHDHSA-N
Inchi IDInChI=1S/C31H29ClF2N6O3/c1-29(18-10-21(33)25(32)22(34)11-18)16-37-31(6-2-3-7-31)28(43)40(29)15-24(41)38-19-9-17-12-30(13-23(17)36-14-19)20-5-4-8-35-26(20)39-27(30)42/h4-5,8-11,14,37H,2-3,6-7,12-13,15-16H2,1H3,(H,38,41)(H,35,39,42)/t29-,30-/m0/s1
PubChem CID70685988
ChEMBLCHEMBL2035985
IUPHARN/A
BindingDB50385311
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
247342Calcitonin gene-related peptide type 1 receptorQ63118CalcrlRattus norvegicus (Rat)464

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