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Ligand

NameCHEMBL202642
Molecular formulaC23H22ClN5OS
IUPAC name5-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
Molecular weight451.973
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.5
SynonymsBDBM19396
2,4-diaminopyrimidine derivative, 8l
6-[(benzyloxy)methyl]-5-(4-{[(5-chlorothiophen-2-yl)methyl]amino}phenyl)pyrimidine-2,4-diamine
Inchi KeyALMNUCWWJJTEKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22ClN5OS/c24-20-11-10-18(31-20)12-27-17-8-6-16(7-9-17)21-19(28-23(26)29-22(21)25)14-30-13-15-4-2-1-3-5-15/h1-11,27H,12-14H2,(H4,25,26,28,29)
PubChem CID11655355
ChEMBLCHEMBL202642
IUPHARN/A
BindingDB19396
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
8403Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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