Compound Detail

CHEMBL260402

IODOMETOMIDATE I-123, R-

Phase I

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Phase I

COC(=O)c1cncn1[C@H](C)c1ccc(I)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL260402
Name	IODOMETOMIDATE I-123, R-
Phase	Phase I
Structure Type	MOL
InChI Key	KECBLXVYTIVCTG-SECBINFHSA-N

Known Names

(r)-4-(123i)iodometomidate 123i-imto 123i-iodometomidate Imto i-123 Iodometomidate i-123, (r)- Iodometomidate i-123, r-

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

356.2

MW (Da)

2.88

ALogP

HBA

HBD

44.1

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem

io-

Extended Properties

Molecular Formula	C13H13IN2O2
MW	356.16
Aromatic Rings	2
Heavy Atoms	18
NP-Likeness	-1.20

Activity Summary

IC50 3 meas. best 8.16

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.16	6.88	7.0	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	6.95	nM	8.16	Inhibition on cortisol secretion in human NCI-H295 cells after 48 hrs	18348518
Unchecked	IC50	=	8.98	nM	8.05	Displacement of [131I]IMTO from CYP450c 11 in Wistar rat adrenal membrane	18348518
Unchecked	IC50	=	37000.0	nM	4.43	Displacement of [3H]ethynylpropylbicycloorthobenzoate from GABAA receptor from r...	19497738

Literature References

PubMed	DOI	Target Context	# Activities
18348518	10.1021/jm800012w	Unchecked	4
19497738	10.1016/j.bmcl.2009.05.065	Unchecked	2

Data from ChEMBL 36 via Core Engine