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Ligand

NameCHEMBL565654
Molecular formulaC20H17N3OS
IUPAC name6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
Molecular weight347.436
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
SynonymsHMS3357A06
BDBM50302980
NCGC00012821-02
MLS002276462
6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
[ Show all ]
Inchi KeyACIBITXFBJEMDM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17N3OS/c1-24-16-5-2-4-14(10-16)15-7-8-19-18(11-15)20(23-13-22-19)21-12-17-6-3-9-25-17/h2-11,13H,12H2,1H3,(H,21,22,23)
PubChem CID3235398
ChEMBLCHEMBL565654
IUPHARN/A
BindingDBN/A
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
1601Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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