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Ligand

NameCHEMBL3650397
Molecular formulaC29H37F6N3O3
IUPAC name[(2R,3aR,6aR)-2-[[(3S,4S)-3-methoxyoxan-4-yl]-methylamino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[(1S,4S)-5-[2,5-bis(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight589.623
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP5.2
SynonymsUS8906911, 52
BDBM140243
SCHEMBL15282507
Inchi KeyABWDLWYDMCTIDD-BBVXKGOHSA-N
Inchi IDInChI=1S/C29H37F6N3O3/c1-36(23-7-9-41-16-25(23)40-2)19-10-17-4-3-8-27(17,13-19)26(39)38-15-20-12-21(38)14-37(20)24-11-18(28(30,31)32)5-6-22(24)29(33,34)35/h5-6,11,17,19-21,23,25H,3-4,7-10,12-16H2,1-2H3/t17-,19-,20+,21+,23+,25-,27-/m1/s1
PubChem CID89823344
ChEMBLCHEMBL3650397
IUPHARN/A
BindingDB140243
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1237C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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