Details of the Drug

General Information of Drug (ID: DMBWO5T)

• Drug Name: ODT-8
• Synonyms: H-c(Cys3-Phe6-Phe7-DTrp8-Lys9-Thr10-Phe11-Cys14)-OH; CHEMBL266477; BDBM50136824; (4R,7S,10S,13S,16R,19S,22S,25R)-16-((1H-indol-3-yl)methyl)-25-amino-13-(4-aminobutyl)-7,19,22-tribenzyl-10-((R)-1-hydroxyethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carboxylic acid
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 1079.3
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 14
  Hydrogen Bond Donor Count (hbonddonor); 12
  Hydrogen Bond Acceptor Count (hbondacc); 14
• Chemical Identifiers:
  Formula: C54H66N10O10S2
  IUPAC Name: (4R,7S,10S,13S,16R,19S,22S,25R)-25-amino-13-(4-aminobutyl)-7,19,22-tribenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
  Canonical SMILES: C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)O)CC6=CC=CC=C6)O
  InChI: InChI=1S/C54H66N10O10S2/c1-32(65)46-53(72)62-43(27-35-19-9-4-10-20-35)51(70)63-45(54(73)74)31-76-75-30-38(56)47(66)59-41(25-33-15-5-2-6-16-33)49(68)60-42(26-34-17-7-3-8-18-34)50(69)61-44(28-36-29-57-39-22-12-11-21-37(36)39)52(71)58-40(48(67)64-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,57,65H,13-14,23-28,30-31,55-56H2,1H3,(H,58,71)(H,59,66)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,64,67)(H,73,74)/t32-,38+,40+,41+,42+,43+,44-,45+,46+/m1/s1
  InChIKey: PJRZZHKHLDKTKL-OCZUONHDSA-N
• Cross-matching ID:
  PubChem CID: 11251755
  ChEBI ID: CHEMBL452157
  TTD ID: D06JFI
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Somatostatin receptor type 1 (SSTR1)	TTIND6G	SSR1_HUMAN	Inhibitor	[1]
Somatostatin receptor type 2 (SSTR2)	TTZ6T9E	SSR2_HUMAN	Inhibitor	[1]
Somatostatin receptor type 3 (SSTR3)	TTJX3UE	SSR3_HUMAN	Inhibitor	[1]
Somatostatin receptor type 4 (SSTR4)	TTAE1BR	SSR4_HUMAN	Inhibitor	[1]
Somatostatin receptor type 5 (SSTR5)	TT2BC4G	SSR5_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Somatostatin receptor type 2 (SSTR2)	DTT	SSTR2	9.79E-07	-0.38	-0.65
Somatostatin receptor type 3 (SSTR3)	DTT	SSTR3	2.40E-04	-0.09	-0.56
Somatostatin receptor type 1 (SSTR1)	DTT	SSTR1	2.39E-14	-0.6	-0.83
Somatostatin receptor type 4 (SSTR4)	DTT	SSTR4	1.12E-02	-0.07	-0.32
Somatostatin receptor type 5 (SSTR5)	DTT	SSTR5	2.74E-01	-0.04	-0.26

References

• [1] Somatostatin receptor 1 selective analogues: 3. Dicyclic peptides. J Med Chem. 2005 Jan 27;48(2):515-22.