Compound Detail

CHEMBL28211

NAFOXIDINE

🧪 Phase II

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🧪 Phase II

COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL28211
Name	NAFOXIDINE
Phase	Phase II
Structure Type	MOL
InChI Key	JEYWNNAZDLFBFF-UHFFFAOYSA-N

Known Names

Nafoxidina Nafoxidine U-11000A

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

425.6

MW (Da)

6.08

ALogP

HBA

HBD

21.7

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Year

1965

Extended Properties

Molecular Formula	C29H31NO2
MW	425.57
Aromatic Rings	3
Heavy Atoms	32
NP-Likeness	-0.31

Activity Summary

IC50 5 meas. best 7.39

Ki 3 meas. best 9.05

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL4931	Ki	9.05	9.05	0.9	1
Sigma non-opioid intracellular receptor 1 CHEMBL287	Ki	7.52	7.52	30.0	1
Estrogen receptor CHEMBL2094114	IC50	7.39	7.39	40.9	1
Zaire ebolavirus CHEMBL4513181	IC50	7.0	7.0	100.0	1
C-8 sterol isomerase ERG2 CHEMBL3224	Ki	6.63	6.63	232.0	1
Unchecked CHEMBL612545	IC50	6.0	6.0	1000.0	1
Marburgvirus CHEMBL4296577	IC50	5.89	5.89	1300.0	1
Androgen receptor CHEMBL3072	IC50	4.89	4.89	12882.5	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	Ki	=	0.9	nM	9.05	Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerev...	16033255
Sigma non-opioid intracellular receptor 1	Ki	=	30.0	nM	7.52	Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H...	16033255
Estrogen receptor	IC50	=	40.9	nM	7.39	Inhibition of estradiol binding to estrogen receptor	9685230
Zaire ebolavirus	IC50	=	100.0	nM	7.0	Antiviral activity against pseudotyped Ebola virus - Mayinga, Zaire infected in ...	32886512
C-8 sterol isomerase ERG2	Ki	=	232.0	nM	6.63	Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pe...	16033255
Unchecked	IC50	=	1000.0	nM	6.0	Antiviral activity against pseudotyped Ebola virus - Zaire (1995) Kikwit infecte...	32886512
Marburgvirus	IC50	=	1300.0	nM	5.89	Antiviral activity against pseudotyped Marburgvirus-Musoke infected in human A54...	32886512
Androgen receptor	IC50	=	12882.5	nM	4.89	Inhibitory concentration against recombinant rat androgen receptor expressed in ...	16134935

Literature References

PubMed	DOI	Target Context	# Activities
32886512	10.1021/acs.jmedchem.0c01001	Unchecked	5
-	10.6019/CHEMBL4651402	SARS-CoV-2	4
1573630	10.1021/jm00086a002	Anti-estrogen binding site (AEBS)	3
3746826	10.1021/jm00159a044	Estrogen receptor	2
-	10.6019/CHEMBL4651402	Vero C1008	2
32886512	10.1021/acs.jmedchem.0c01001	Marburgvirus	2
3746826	10.1021/jm00159a044	Rattus norvegicus	1
9685230	10.1021/jm980048b	Estrogen receptor	1
7069708	10.1021/jm00345a018	Rattus norvegicus	1
16033255	10.1021/jm049073+	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	1
16033255	10.1021/jm049073+	Sigma non-opioid intracellular receptor 1	1
16033255	10.1021/jm049073+	C-8 sterol isomerase ERG2	1
16134935	10.1021/jm050403f	Androgen receptor	1
7914405	10.1016/0006-2952(94)90099-x	ATP-dependent translocase ABCB1	1
32886512	10.1021/acs.jmedchem.0c01001	Zaire ebolavirus	1

Data from ChEMBL 36 via Core Engine