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Ligand

NameSCHEMBL3033160
Molecular formulaC26H36N6O
IUPAC name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide
Molecular weight448.615
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.6
SynonymsUS9150519, I-78
CHEMBL3975379
BDBM183683
Inchi KeyADYQSHCYLPBPNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36N6O/c33-26(30-22-10-8-20(9-11-22)17-31-14-12-27-13-15-31)24-16-25(29-19-28-24)32(18-21-6-7-21)23-4-2-1-3-5-23/h8-11,16,19,21,23,27H,1-7,12-15,17-18H2,(H,30,33)
PubChem CID25182922
ChEMBLCHEMBL3975379
IUPHARN/A
BindingDB183683
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459253Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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