Compound Detail

CHEMBL197194

VIDOFLUDIMUS

🧪 Phase III

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🧪 Phase III

COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL197194
Name	VIDOFLUDIMUS
Phase	Phase III
Structure Type	MOL
InChI Key	XPRDUGXOWVXZLL-UHFFFAOYSA-N

Known Names

4SC-101 Imu-838 NSC-717824 SC-12267 SC12267 Vidofludimus

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

355.4

MW (Da)

4.00

ALogP

HBA

HBD

75.6

PSA (Å²)

0.85

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem

-imus

Extended Properties

Molecular Formula	C20H18FNO4
MW	355.37
Aromatic Rings	2
Heavy Atoms	26
NP-Likeness	-0.89

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Dihydroorotate dehydrogenase inhibitor	INHIBITOR	Dihydroorotate dehydrogenase (quinone), mitochondrial	✓	✓

Indications

Multiple Sclerosis Multiple Sclerosis, Relapsing-Remitting Arthritis, Rheumatoid Cholangitis, Sclerosing Colitis, Ulcerative Inflammatory Bowel Diseases Severe Acute Respiratory Syndrome

Activity Summary

EC50 8 meas. best 6.52

IC50 8 meas. best 6.87

Kd 3 meas. best 6.47

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966	IC50	6.87	6.705	134.0	4
Nuclear receptor subfamily 4 group A member 2 CHEMBL5002	EC50	6.52	6.44	300.0	3
Beta-lactamase NDM-1 CHEMBL4295540	Kd	6.47	6.47	337.0	1
Bile acid receptor CHEMBL2047	EC50	6.35	6.35	450.0	1
Nuclear receptor subfamily 4 group A member 2 CHEMBL5002	Kd	6.16	6.16	700.0	2
Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966	EC50	5.56	5.555	2754.2	2
Nuclear receptor subfamily 4 group A member 3 CHEMBL1961792	EC50	5.54	5.54	2900.0	1
Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229	EC50	5.51	5.51	3100.0	1
Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7 CHEMBL4879430	IC50	5.14	5.14	7160.0	1
ADMET CHEMBL612558	IC50	4.89	4.89	13000.0	1
Beta-lactamase NDM-1 CHEMBL4295540	IC50	4.86	4.86	13800.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
F	73.8	%	Rattus norvegicus
T1/2	9.1	hr	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dihydroorotate dehydrogenase (quinone), mitochondrial	IC50	=	134.0	nM	6.87	Inhibition of human DHODH using dihydroorotate substrate by DCIP dye based spect...	35151222
Dihydroorotate dehydrogenase (quinone), mitochondrial	IC50	=	134.0	nM	6.87	Inhibitory activity against recombinant human DHODH	16246558
Dihydroorotate dehydrogenase (quinone), mitochondrial	IC50	=	134.0	nM	6.87	Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogen...	16143532
Nuclear receptor subfamily 4 group A member 2	EC50	=	300.0	nM	6.52	Agonist activity at full length human Nurr1 transfected in HEK293T cells co-tran...	37256819
Beta-lactamase NDM-1	Kd	=	337.0	nM	6.47	Binding affinity to Escherichia coli NDM-1 assessed as equilibrium dissociation ...	36870273
Nuclear receptor subfamily 4 group A member 2	EC50	=	400.0	nM	6.4	Agonist activity at human Nurr1 transfected in HEK293T cells co-transfected with...	37256819
Nuclear receptor subfamily 4 group A member 2	EC50	=	400.0	nM	6.4	Agonist activity at human Nurr1-LBD transfected in HEK293T cells co-transfected ...	37127285
Bile acid receptor	EC50	=	450.0	nM	6.35	Agonist activity at FXR (unknown origin)	34889100
Dihydroorotate dehydrogenase (quinone), mitochondrial	IC50	=	610.0	nM	6.21	Inhibition of human recombinant DHODH by colorimetric assay	37127285
Nuclear receptor subfamily 4 group A member 2	Kd	=	700.0	nM	6.16	Binding affinity to recombinant N-terminal His6-tagged human Nurr1 LBD (362 to 5...	37256819
Nuclear receptor subfamily 4 group A member 2	Kd	=	700.0	nM	6.16	Binding affinity to Nurr1-LBD (unknown origin) by Isothermal titration colorimet...	37127285
Dihydroorotate dehydrogenase (quinone), mitochondrial	EC50	=	2754.23	nM	5.56	Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase repo...	31740051
Dihydroorotate dehydrogenase (quinone), mitochondrial	EC50	=	2800.0	nM	5.55	Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase repo...	31740051
Nuclear receptor subfamily 4 group A member 3	EC50	=	2900.0	nM	5.54	Agonist activity at NOR1 (unknown origin) by Gal4 hybrid reporter gene assay	37127285
Nuclear receptor subfamily 4immunitygroup A member 1	EC50	=	3100.0	nM	5.51	Agonist activity at Nur77 (unknown origin) by Gal4 hybrid reporter gene assay	37127285
Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7	IC50	=	7160.0	nM	5.14	Inhibition of N-terminal His-tagged human JMJD7 (1 to 316 residues) expressed in...	34048880
ADMET	IC50	=	13000.0	nM	4.89	Inhibitory activity (proliferation) against human peripheral blood mononuclear c...	16143532
Beta-lactamase NDM-1	IC50	=	13800.0	nM	4.86	Inhibition of Escherichia coli NDM-1 expressed in Escherichia coli BL21 (DE3) us...	36870273

Literature References

PubMed	DOI	Target Context	# Activities
36870273	10.1016/j.ejmech.2023.115225	Escherichia coli	26
36870273	10.1016/j.ejmech.2023.115225	Beta-lactamase NDM-1	13
37870434	10.1021/acs.jmedchem.3c01365	Mus musculus	8
37870434	10.1021/acs.jmedchem.3c01365	Dihydroorotate dehydrogenase (quinone), mitochondrial	5
37256819	10.1021/acs.jmedchem.3c00485	Nuclear receptor subfamily 4 group A member 2	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
37870434	10.1021/acs.jmedchem.3c01365	ADMET	4
37127285	10.1021/acs.jmedchem.3c00415	Nuclear receptor subfamily 4 group A member 2	3
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
31740051	10.1016/j.ejmech.2019.111855	Dihydroorotate dehydrogenase (quinone), mitochondrial	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
35151222	10.1016/j.ejmech.2022.114176	Dihydroorotate dehydrogenase (quinone), mitochondrial	1
37127285	10.1021/acs.jmedchem.3c00415	Nuclear receptor ROR-alpha	1
37127285	10.1021/acs.jmedchem.3c00415	Nuclear receptor subfamily 4 group A member 3	1
37918435	10.1021/acs.jmedchem.3c01467	Nuclear receptor subfamily 4 group A member 2	1
37127285	10.1021/acs.jmedchem.3c00415	Dihydroorotate dehydrogenase (quinone), mitochondrial	1
34889100	10.1021/acs.jmedchem.1c01017	Bile acid receptor	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
16246558	10.1016/j.bmcl.2005.10.011	Dihydroorotate dehydrogenase (quinone), mitochondrial	1

Data from ChEMBL 36 via Core Engine