Compound Detail

CHEMBL3348923

TOVORAFENIB

💊 Approved Drug

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💊 Approved Drug

C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3348923
Name	TOVORAFENIB
Phase	Approved
Structure Type	MOL
InChI Key	VWMJHAFYPMOMGF-ZCFIWIBFSA-N
Therapeutic	✓ Yes

Known Names

Biib-024 BIIB024 DAY-101 DAY101 Mln-2480 Mln2480 Ojemda Tak 580 Tak-580 Tovorafenib

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

506.3

MW (Da)

3.98

ALogP

HBA

HBD

135.8

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2024
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Oral

USAN Stem	-rafenib
USAN Year	2021

Extended Properties

Molecular Formula	C17H12Cl2F3N7O2S
MW	506.30
Aromatic Rings	3
Heavy Atoms	32
NP-Likeness	-1.44

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
RAF serine/threonine protein kinase inhibitor	INHIBITOR	RAF serine/threonine protein kinase	✓	✓

Indications

Glioma Craniopharyngioma Histiocytosis, Langerhans-Cell Neoplasms Neoplasms Adenocarcinoma Astrocytoma Carcinoma, Non-Small-Cell Lung Colorectal Neoplasms Melanoma Melanoma Pancreatic Neoplasms Thyroid Neoplasms Urinary Bladder Neoplasms

Activity Summary

Kd 24 meas. best 7.2

IC50 5 meas. best 7.07

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	7.2	7.2	63.0	1
Unchecked CHEMBL612545	IC50	7.07	7.07	84.5	1
RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906	IC50	7.03	6.665	94.0	2
Serine/threonine-protein kinase B-raf CHEMBL5145	IC50	7.03	6.615	94.2	2
Tyrosine-protein kinase ABL2 CHEMBL4014	Kd	7.0	7.0	99.0	1
Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897	Kd	6.84	6.84	146.0	1
Tyrosine-protein kinase FRK CHEMBL4223	Kd	6.76	6.76	172.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	6.64	6.64	227.0	1
Wee1-like protein kinase CHEMBL5491	Kd	6.6	6.6	252.0	1
Breakpoint cluster region protein CHEMBL5146	Kd	6.53	6.53	296.0	1
Mitogen-activated protein kinase 14 CHEMBL260	Kd	6.45	6.45	358.0	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Kd	6.35	6.35	450.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Kd	6.3	6.3	498.0	1
Mitogen-activated protein kinase 11 CHEMBL3961	Kd	6.17	6.17	684.0	1
Ephrin type-A receptor 2 CHEMBL2068	Kd	6.09	6.09	807.0	1
Dual specificity protein kinase CLK1 CHEMBL4224	Kd	6.03	6.03	942.0	1
LIM domain kinase 1 CHEMBL3836	Kd	5.99	5.99	1021.0	1
Ephrin type-A receptor 1 CHEMBL5810	Kd	5.97	5.97	1067.0	1
TGF-beta receptor type-2 CHEMBL4267	Kd	5.79	5.79	1641.0	1
Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199	Kd	5.75	5.75	1800.0	1
Mitogen-activated protein kinase kinase kinase 1 CHEMBL3956	Kd	5.68	5.68	2090.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Kd	5.49	5.49	3218.0	1
Ephrin type-B receptor 6 CHEMBL5836	Kd	5.48	5.48	3344.0	1
Serine/threonine-protein kinase B-raf CHEMBL5145	Kd	5.42	5.42	3772.0	1
Myosin light chain kinase, smooth muscle CHEMBL2428	Kd	5.36	5.36	4406.0	1
Ephrin type-B receptor 4 CHEMBL5147	Kd	5.03	5.03	9434.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	4.95	4.95	11107.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epithelial discoidin domain-containing receptor 1	Kd	=	63.0	nM	7.2	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Unchecked	IC50	=	84.5	nM	7.07	Inhibition of C-RAF SSDD mutant (unknown origin) extracted from baculovirus by T...	38954961
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	94.0	nM	7.03	Inhibition of wild type C-RAF (unknown origin)	38954961
Serine/threonine-protein kinase B-raf	IC50	=	94.2	nM	7.03	Inhibition of B-RAF V600E mutant (unknown origin)	38954961
Tyrosine-protein kinase ABL2	Kd	=	99.0	nM	7.0	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Dual specificity mitogen-activated protein kinase kinase 4	Kd	=	146.0	nM	6.84	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase FRK	Kd	=	172.0	nM	6.76	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Discoidin domain-containing receptor 2	Kd	=	227.0	nM	6.64	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Wee1-like protein kinase	Kd	=	252.0	nM	6.6	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Breakpoint cluster region protein	Kd	=	296.0	nM	6.53	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mitogen-activated protein kinase 14	Kd	=	358.0	nM	6.45	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Mitogen-activated protein kinase kinase kinase 20	Kd	=	450.0	nM	6.35	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Tyrosine-protein kinase ABL1	Kd	=	498.0	nM	6.3	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	495.0	nM	6.3	Inhibition of RAF1 Y340D (unknown origin)	38954961
Serine/threonine-protein kinase B-raf	IC50	=	633.0	nM	6.2	Inhibition of wild-type B-RAF (unknown origin)	38954961
Mitogen-activated protein kinase 11	Kd	=	684.0	nM	6.17	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-A receptor 2	Kd	=	807.0	nM	6.09	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Dual specificity protein kinase CLK1	Kd	=	942.0	nM	6.03	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
LIM domain kinase 1	Kd	=	1021.0	nM	5.99	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Ephrin type-A receptor 1	Kd	=	1067.0	nM	5.97	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878

Literature References

PubMed	DOI	Target Context	# Activities
29191878	10.1126/science.aan4368	Unchecked	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
38954961	10.1016/j.ejmech.2024.116631	Unchecked	2
38954961	10.1016/j.ejmech.2024.116631	RAF proto-oncogene serine/threonine-protein kinase	2
38954961	10.1016/j.ejmech.2024.116631	Serine/threonine-protein kinase B-raf	2
29191878	10.1126/science.aan4368	Activin receptor type-2B	1
29191878	10.1126/science.aan4368	RAC-beta serine/threonine-protein kinase	1
29191878	10.1126/science.aan4368	RAC-alpha serine/threonine-protein kinase	1
29191878	10.1126/science.aan4368	Beta-adrenergic receptor kinase 1	1
29191878	10.1126/science.aan4368	Adenosine kinase	1
29191878	10.1126/science.aan4368	Uncharacterized aarF domain-containing protein kinase 5	1
29191878	10.1126/science.aan4368	Atypical kinase COQ8A, mitochondrial	1
29191878	10.1126/science.aan4368	AarF domain-containing protein kinase 1	1
29191878	10.1126/science.aan4368	Activin receptor type-1	1
29191878	10.1126/science.aan4368	Actin-related protein 3	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 3	1
29191878	10.1126/science.aan4368	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 10	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL2	1

Data from ChEMBL 36 via Core Engine