Edotreotide

Summary

Edotreotide (CHEMBL408350) is a phase-3 clinical-stage small molecule targeting SSTR2; indicated across 6 conditions including neuroendocrine neoplasm and carcinoid tumor.

At a glance

• Status: Max clinical phase 3 (not approved)
• Modality: Small molecule
• Targets: 1 (SSTR2)
• Indications: 6 conditions
• Clinical trials: 1
• Chemistry: 1421.6 Da · C65H92N14O18S2

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL408350
Name	Edotreotide
Type	Small molecule
Max phase	3
FDA approved	no
PubChem CID	158782
Molecular formula	C65H92N14O18S2
Molecular weight	1421.6
InChIKey	RZHKDBRREKOZEW-AAXZNHDCSA-N

SMILES: C[C@H]([C@H]1C(=O)N[C@@H](CSSC[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=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CO)[C@@H](C)O)O

IUPAC name: 2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Also known as: Dotatoc, Edotreotida, Edotreotide, SMT 487, SMT-487, SMT487, Radiolabeled octreotide derivative, EDOTREOTIDE

Patent coverage: 365 distinct patent families (880 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 871 (99%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

Gene	Target	Action	pAffinity	Cancer dependency	UniProt
SSTR2	SST2 receptor	Full agonist	8.6	0.7%	P30874

Broader ChEMBL bioactivity targets: 3 (assay-derived). Sample: Somatostatin receptor type 5, Somatostatin receptor type 2, Somatostatin receptor type 3.

Bioactivity

ChEMBL activities: 3 potent at pChembl ≥ 5 of 3 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
SSTR2	7.85	IC50	14	nM	CHEMBL_ACT_1503471
SSTR5	6.41	IC50	393	nM	CHEMBL_ACT_1503474
SSTR3	6.06	IC50	880	nM	CHEMBL_ACT_1503472

Target pathways

Aggregated over 1 target gene(s): SSTR2.

Top Reactome pathways

7 total, by targets touching each:

Pathway	Targets	Genes
Signal Transduction	1	SSTR2
Signaling by GPCR	1	SSTR2
Class A/1 (Rhodopsin-like receptors)	1	SSTR2
Peptide ligand-binding receptors	1	SSTR2
GPCR downstream signalling	1	SSTR2
G alpha (i) signalling events	1	SSTR2
GPCR ligand binding	1	SSTR2

Dominant GO biological processes

GO term	Targets
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	1
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	1
neuropeptide signaling pathway	1
negative regulation of cell population proliferation	1
cellular response to glucocorticoid stimulus	1
cellular response to estradiol stimulus	1
signal transduction	1
G protein-coupled receptor signaling pathway	1
somatostatin signaling pathway	1

Indications & clinical

Indications

6 indications (0 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).

Indication	Trial phase	MONDO	EFO
neuroendocrine neoplasm	3	MONDO:0019496	EFO:1001901
carcinoid tumor	3	MONDO:0005369	EFO:0004243
meningioma	2	MONDO:0016642	MONDO:0016642
adrenal gland pheochromocytoma	2	MONDO:0004974	EFO:0000239
paraganglioma	2	MONDO:0000448	EFO:1000453

1 further indication record had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.

Clinical trials

Total trials: 1.

Phase distribution

Phase	Trials
Not specified	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT02375464	Not specified	NO_LONGER_AVAILABLE	Gallium-68 DOTATOC for Management of Neuroendocrine Tumors

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

11 molecules share ≥1 primary target. Top 11 by shared-target count:

Molecule	Source	Status	Shared targets
GALLIUM OXODOTREOTIDE	ChEMBL	Phase 4 (approved)	SSTR2
LANREOTIDE	ChEMBL	Phase 4 (approved)	SSTR2
OCTREOTIDE	ChEMBL	Phase 4 (approved)	SSTR2
PASIREOTIDE	ChEMBL	Phase 4 (approved)	SSTR2
PALTUSOTINE	ChEMBL	Phase 3	SSTR2
SOMATOSTATIN	ChEMBL	Phase 3	SSTR2
VAPREOTIDE	ChEMBL	Phase 3	SSTR2
EDOTREOTIDE YTTRIUM	ChEMBL	Phase 2	SSTR2
MK-8189	ChEMBL	Phase 2	SSTR2
SEGLITIDE	ChEMBL	Phase 2	SSTR2
oxodotreotide	PubChem	Approved	SSTR2