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Ligand

NameCHEMBL218690
Molecular formulaC30H23N5O2S
IUPAC name3-[1-(3-aminopropyl)indazol-3-yl]-4-[1-(1-benzothiophen-3-yl)indol-3-yl]pyrrole-2,5-dione
Molecular weight517.607
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50203818
JNJ-8706646
3-(1-(3-aminopropyl)-1H-indazol-3-yl)-4-(1-(benzo[b]thiophen-3-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione
SCHEMBL3785953
Inchi KeyANUONHHEYSLORP-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H23N5O2S/c31-14-7-15-35-23-12-5-2-10-20(23)28(33-35)27-26(29(36)32-30(27)37)21-16-34(22-11-4-1-8-18(21)22)24-17-38-25-13-6-3-9-19(24)25/h1-6,8-13,16-17H,7,14-15,31H2,(H,32,36,37)
PubChem CID10301495
ChEMBLCHEMBL218690
IUPHARN/A
BindingDB50203818
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9911KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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