GproteinDb

2-iodo-melatonin

Agent/drug
Bioactivity

2-iodo-melatonin

SMILES	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
InChIKey	FJDDSMSDZHURBJ-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	2
Rotatable bonds	4
Molecular weight (Da)	358.0

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank GPCRdb
Structure pdb	6ME4 7VGY

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pKi	10.20	10.60	11.00	Guide to Pharmacology
MT₁	MTR1A	Human	Melatonin	A	pKi	10.10	10.39	10.89	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	9.70	10.00	10.30	Guide to Pharmacology
MT₂	MTR1B	Human	Melatonin	A	pKi	9.66	9.76	9.82	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pIC50	9.00	9.00	9.00	ChEMBL
TSH	TSHR	Human	Glycoprotein hormone	A	Potency	6.10	6.10	6.10	ChEMBL

Showing 1 to 2 of 2 entries

2-iodo-melatonin

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank GPCRdb
Structure pdb	6ME4 7VGY

Compound is not listed as a drug.