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Ligand

NameCHEMBL502077
Molecular formulaC78H101ClN18O18S2
IUPAC name2-[4-[2-[[3-[[(2R)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-16-[[4-(carbamoylamino)phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1678.34
Hydrogen bond acceptor25
Hydrogen bond donor18
XlogP-5.4
SynonymsBDBM50243523
Inchi KeyAQPTXVNPBKVPKV-XQNVDWLZSA-N
Inchi IDInChI=1S/C78H101ClN18O18S2/c1-46(98)69-77(114)92-63(75(112)88-58(70(81)107)37-49-13-18-50-8-2-3-9-51(50)34-49)45-117-116-44-62(76(113)89-60(36-48-16-21-54(22-17-48)85-78(82)115)73(110)90-61(38-52-39-84-56-11-5-4-10-55(52)56)74(111)87-57(71(108)93-69)12-6-7-24-80)91-72(109)59(35-47-14-19-53(79)20-15-47)86-64(99)23-25-83-65(100)40-94-26-28-95(41-66(101)102)30-32-97(43-68(105)106)33-31-96(29-27-94)42-67(103)104/h2-5,8-11,13-22,34,39,46,57-63,69,84,98H,6-7,12,23-33,35-38,40-45,80H2,1H3,(H2,81,107)(H,83,100)(H,86,99)(H,87,111)(H,88,112)(H,89,113)(H,90,110)(H,91,109)(H,92,114)(H,93,108)(H,101,102)(H,103,104)(H,105,106)(H3,82,85,115)/t46-,57+,58+,59-,60+,61-,62-,63+,69+/m1/s1
PubChem CID44560872
ChEMBLCHEMBL502077
IUPHARN/A
BindingDB50243523
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12002Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
12005Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
12004Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
12001Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
12003Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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