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Ligand

NameCHEMBL522959
Molecular formulaC23H27N5O4S
IUPAC name3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight469.56
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP5.3
SynonymsSCHEMBL13208144
BDBM50247947
(R)-3-(4-(1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethylpropylamino)-1,2,5-thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi KeyFIBJPCXODZVPBQ-IBGZPJMESA-N
Inchi IDInChI=1S/C23H27N5O4S/c1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1
PubChem CID135937901
ChEMBLCHEMBL522959
IUPHARN/A
BindingDB50247947
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
559755C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
559756C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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