Compound Detail

CHEMBL2105619

BETACETYLMETHADOL

🧪 Phase II

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🧪 Phase II

CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2105619
Name	BETACETYLMETHADOL
Phase	Phase II
Structure Type	MOL
InChI Key	XBMIVRRWGCYBTQ-GCJKJVERSA-N

Known Names

Acscn-9607 Betacetilmetadol Betacetylmethadol IDS-NB-003

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

353.5

MW (Da)

4.65

ALogP

HBA

HBD

29.5

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem

-adol

Extended Properties

Molecular Formula	C23H31NO2
MW	353.51
Aromatic Rings	2
Heavy Atoms	26
NP-Likeness	0.13

Activity Summary

Ki 2 meas. best 7.82

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Opioid receptor CHEMBL2094129	Ki	7.82	7.085	15.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Opioid receptor	Ki	=	15.0	nM	7.82	Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane i...	6268789
Opioid receptor	Ki	=	450.0	nM	6.35	Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid re...	6268789

Literature References

PubMed	DOI	Target Context	# Activities
6268789	10.1021/jm00139a030	Opioid receptor	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2

Data from ChEMBL 36 via Core Engine