Compound Detail

CHEMBL1316965

ETHAVERINE HYDROCHLORIDE

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CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1316965
Name	ETHAVERINE HYDROCHLORIDE
Phase	Preclinical
Structure Type	MOL
InChI Key	UPUDVKWQBVIKBG-UHFFFAOYSA-N
Parent Compound	CHEMBL1555736
Active Moiety	CHEMBL1555736

Ethaquin Ethaverine hcl Ethaverine hydrochloride Ethylpapaverine hydrochloride NSC-525044

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

395.5

MW (Da)

5.42

ALogP

HBA

HBD

49.8

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem

-verine

IC50 2 meas. best 6.39

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288	IC50	6.39	6.39	410.0	1
SARS-CoV-2 CHEMBL4303835	IC50	6.19	6.19	640.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
3',5'-cyclic-AMP phosphodiesterase 4D	IC50	=	410.0	nM	6.39	Inhibition of his-tagged recombinant human PDE4D catalytic domain (T86 to S413 r...	37918035
SARS-CoV-2	IC50	=	640.0	nM	6.19	Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o...	-

PubMed	DOI	Target Context	# Activities
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
-	10.21203/rs.3.rs-23951/v1	Caco-2	1
-	10.21203/rs.3.rs-23951/v1	ADMET	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
37918035	10.1016/j.ejmech.2023.115893	3',5'-cyclic-AMP phosphodiesterase 4D	1

Data from ChEMBL 36 via Core Engine