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Ligand

Name3-(4-bromobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine
Molecular formulaC14H12BrNOS
IUPAC name(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-bromophenyl)methanone
Molecular weight322.22
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
Synonyms223423-37-8
Oprea1_311880
AKOS033654536
ZINC415528
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-bromophenyl)methanone
[ Show all ]
Inchi KeyAGAHDIGCNBCTPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H12BrNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2
PubChem CID859629
ChEMBLCHEMBL58748
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
4684Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326

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