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Ligand

NameCHEMBL2018387
Molecular formulaC29H40F3N5O4
IUPAC nameN-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide
Molecular weight579.665
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP4.3
SynonymsSCHEMBL5126608
BDBM50381178
Inchi KeyACFBGSHYQKWEDV-DQEYMECFSA-N
Inchi IDInChI=1S/C29H40F3N5O4/c1-6-7-25(38)24(15-33-14-20-9-8-18(4)12-19(20)5)36-26(39)16-34-27(40)22-13-21(29(30,31)32)10-11-23(22)37-28(41)35-17(2)3/h8-13,17,24-25,33,38H,6-7,14-16H2,1-5H3,(H,34,40)(H,36,39)(H2,35,37,41)/t24-,25-/m0/s1
PubChem CID10281715
ChEMBLCHEMBL2018387
IUPHARN/A
BindingDB50381178
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1497C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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