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Ligand

NameCHEMBL170102
Molecular formulaC26H31N5O4
IUPAC nameN-[(2S)-1-[[(2S)-1-[[(2R)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
Molecular weight477.565
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.9
SynonymsN/A
Inchi KeyHBVRVXXQGJFCIK-PNLZDCPESA-N
Inchi IDInChI=1S/C26H31N5O4/c1-16(29-25(34)18-10-6-5-7-11-18)23(32)28-17(2)24(33)30-22(26(35)31(3)4)14-19-15-27-21-13-9-8-12-20(19)21/h5-13,15-17,22,27H,14H2,1-4H3,(H,28,32)(H,29,34)(H,30,33)/t16-,17-,22+/m0/s1
PubChem CID44384181
ChEMBLCHEMBL170102
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
110949Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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