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Ligand

NameCHEMBL3115097
Molecular formulaC25H34F3N5O4
IUPAC name(3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-N-methyl-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
Molecular weight525.573
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP0.3
SynonymsBDBM50446862
SCHEMBL15444151
Inchi KeyAMWVSLPKFJWLJF-KAMXTENUSA-N
Inchi IDInChI=1S/C25H34F3N5O4/c1-29-23(35)33-12-17-8-18(31-20-4-6-37-13-21(20)36-2)9-24(17,14-33)22(34)32-5-3-19-15(11-32)7-16(10-30-19)25(26,27)28/h7,10,17-18,20-21,31H,3-6,8-9,11-14H2,1-2H3,(H,29,35)/t17-,18+,20?,21?,24-/m0/s1
PubChem CID72948001
ChEMBLCHEMBL3115097
IUPHARN/A
BindingDB50446862
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
9324C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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