General Information of the Compound
Compound ID
CP0049566
Compound Name
15-28-Somatostatin-28
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Synonyms
51110-01-1
61950-59-2
AY 24910
Ala-Gly-Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys
Aminopan
CCRIS 7071
EINECS 256-969-7
Growth hormone release inhibiting factor
Growth hormone release-inhibiting factor
Growth hormone release-inhibiting hormone
NCGC00181005-01
Panhibin
SCHEMBL3046327
SOMATOSTATIN
SRIF
Somatostatin 1-14
Somatostatin acetate
Somatotropin release-inhibiting factor
Somatotropin release-inhibiting hormone
Somiaton
[D-Trp8]-SOMATOSTATIN
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Structure
Formula
C76H104N18O19S2
Molecular Weight
1637.909
Canonical SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O
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InChI
InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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InChIKey
NHXLMOGPVYXJNR-ATOGVRKGSA-N
CAS
38916-34-6
Physicochemical Property
logP
-4.9136
Rotatable Bonds
26
Heavy Atom Count
115
Polar Areas
613.23
Hydrogen Bond Donor Count
22
Hydrogen Bond Acceptor Count
23
Complexity
115

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 16129706
SID: 14817579
ChEMBL ID
CHEMBL1823872
DrugBank ID
DB09099
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00930, Somatostatin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  4
1
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.9 nM
   TI
   LI
   LO
   TS
3
Ki = 0.36 nM
   TI
   LI
   LO
   TS
4
Ki = 0.631 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.29 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.14 nM
2 IC50 = 1.9 nM
3 Ki = 0.38 nM
4 Ki = 2.3 nM
Protein ID: PT01505, Somatostatin receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 0.1 nM
   TI
   LI
   LO
   TS
2
Ki = 0.035 nM
   TI
   LI
   LO
   TS
CL000443 CC531 Rattus norvegicus (Rat)  1
1
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
CL000351 Dede Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.67 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 0.049 nM
   TI
   LI
   LO
   TS
2
Ki = 0.1995 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.7 nM
2 Ki = 0.04 nM
3 Ki = 0.083 nM
4 Ki = 0.23 nM
Protein ID: PT01693, Somatostatin receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000351 Dede Cricetulus griseus (Chinese hamster)  3
1
EC50 = 0.78 nM
   TI
   LI
   LO
   TS
2
IC50 = 3.1 nM
   TI
   LI
   LO
   TS
3
IC50 = 3.3 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
2
Ki = 0.1 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 0.14 nM
   TI
   LI
   LO
   TS
2
Ki = 0.2512 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.3 nM
2 Ki = 0.66 nM
3 Ki = 1.17 nM
Protein ID: PT01398, Somatostatin receptor type 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000351 Dede Cricetulus griseus (Chinese hamster)  2
1
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.7 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 0.59 nM
   TI
   LI
   LO
   TS
2
Ki = 1.259 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.63 nM
   TI
   LI
   LO
   TS
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
Ki = 1.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.08 nM
2 IC50 = 1.6 nM
3 IC50 = 1.77 nM
4 Ki = 1.7 nM
5 Ki = 1.76 nM
6 Ki < 2 nM
Protein ID: PT01196, Somatostatin receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 0.19 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4.2 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.14 nM
   TI
   LI
   LO
   TS
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 0.3981 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 0.065 nM
2 IC50 = 0.88 nM
3 IC50 = 10 nM
4 Ki = 0.44 nM
5 Ki = 1.4 nM
6 Ki < 2 nM
7 Ki = 2.32 nM
8 Ki = 120 nM
Clinical Information about the Compound
Drug 1 ( SOMATOSTATIN )
Drug Name SOMATOSTATIN
Target(s)
Somatostatin receptor type 2 (SSTR2)
Inhibitor
Somatostatin receptor type 4 (SSTR4)
Inhibitor
Somatostatin receptor type 1 (SSTR1)
Inhibitor
Somatostatin receptor type 3 (SSTR3)
Inhibitor
Somatostatin receptor type 5 (SSTR5)
Inhibitor
Opioid receptor mu (MOP)
Inhibitor
Opioid receptor delta (OPRD1)
Inhibitor