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Ligand

NameCHEMBL386290
Molecular formulaC21H23N5O2
IUPAC nameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]propanamide
Molecular weight377.448
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.0
SynonymsSCHEMBL3635715
BDBM19356
2,4-diaminopyrimidine-based antagonist, 13b
n-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)propanamide
Inchi KeyABCMLBFIEBJOLA-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N5O2/c1-2-18(27)24-16-10-8-15(9-11-16)19-17(25-21(23)26-20(19)22)13-28-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,24,27)(H4,22,23,25,26)
PubChem CID11314908
ChEMBLCHEMBL386290
IUPHARN/A
BindingDB19356
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
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GLASS IDNameUniProtGeneSpeciesLength
740Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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