Compound Detail

CHEMBL461101

ELTROMBOPAG

💊 Approved Drug

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💊 Approved Drug

CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL461101
Name	ELTROMBOPAG
Phase	Approved
Structure Type	MOL
InChI Key	XDXWLKQMMKQXPV-QYQHSDTDSA-N
Therapeutic	✓ Yes

Known Names

Eltrombopag Revolade SB497115

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

442.5

MW (Da)

4.56

ALogP

HBA

HBD

114.6

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2008
Availability	Prescription
Chirality	Achiral

Routes of Administration

Oral

Flags

Black Box Warning Natural Product

USAN Stem	-trombopag
USAN Year	2005

Extended Properties

Molecular Formula	C25H22N4O4
MW	442.48
Aromatic Rings	3
Heavy Atoms	33
NP-Likeness	-1.07

Indications

Anemia, Aplastic Anemia, Aplastic Hemorrhage Hepatitis C Hepatitis C, Chronic Neoplasms Purpura, Thrombocytopenic, Idiopathic Thrombocytopenia Blood Platelet Disorders Fanconi Anemia Graft vs Host Disease Leukemia Leukemia, Lymphocytic, Chronic, B-Cell Leukemia, Myeloid, Acute Liver Diseases Lymphoma Myelodysplastic Syndromes Wiskott-Aldrich Syndrome Anemia Liver Cirrhosis

ATC Classification

B02BX05

eltrombopag

Level 1: BLOOD AND BLOOD FORMING ORGANS

Level 2: ANTIHEMORRHAGICS

Activity Summary

IC50 11 meas. best 6.2

Ki 4 meas. best 5.07

EC50 2 meas. best 7.42

Kd 2 meas. best 4.88

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Thrombopoietin receptor CHEMBL1864	EC50	7.42	7.42	38.0	2
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	6.2	6.18	631.0	2
Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393	IC50	5.51	5.51	3100.0	1
METTL3/METTL14 CHEMBL4106140	IC50	5.44	5.4067	3650.0	3
SARS-CoV-2 CHEMBL4303835	IC50	5.08	5.08	8270.0	1
Solute carrier organic anion transporter family member 2B1 CHEMBL1743124	Ki	5.07	5.07	8480.0	1
METTL3/METTL14 CHEMBL4106140	Kd	4.88	4.88	13200.0	1
N6-adenosine-methyltransferase catalytic subunit CHEMBL4739695	Kd	4.88	4.88	13200.0	1
Solute carrier organic anion transporter family member 1B1 CHEMBL1697668	Ki	4.83	4.83	14900.0	1
Solute carrier organic anion transporter family member 1B3 CHEMBL1743121	Ki	4.59	4.59	25600.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	0.38	mL.min-1.kg-1	Rattus norvegicus
CL	0.0325	mL.min-1.kg-1	Rattus norvegicus
CL	0.335	mL.min-1.kg-1	Rattus norvegicus
CL	0.001167	mL.min-1.kg-1	Rattus norvegicus
CL	0.2267	mL.min-1.kg-1	Rattus norvegicus
CL	0.55	mL.min-1.kg-1	Rattus norvegicus
CL	1.288	mL.min-1.kg-1	Mus musculus
CL	0.92	mL.min-1.kg-1	Mus musculus
CL	0.5717	mL.min-1.kg-1	Rattus norvegicus
CL	0.03967	mL.min-1.kg-1	Rattus norvegicus
CL	0.7467	mL.min-1.kg-1	Rattus norvegicus
Cmax	40000.0	nM	Mus musculus
Vd	0.0411	L.kg-1	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Thrombopoietin receptor	EC50	=	38.0	nM	7.42	Agonist activity at human thrombopoietin receptor expressed in mouse Ba/F3 cells...	18783949
Thrombopoietin receptor	EC50	=	38.0	nM	7.42	Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as act...	18778936
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	630.96	nM	6.2	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured u...	25087753
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	690.0	nM	6.16	Inhibition of human ERG channel tail current	26935940
Broad substrate specificity ATP-binding cassette transporter ABCG2	IC50	=	3100.0	nM	5.51	Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells membrane vesicles ...	35483322
METTL3/METTL14	IC50	=	3650.0	nM	5.44	Inhibition of METTL3/METTL14 (unknown origin) by bioluminescence assay	36692498
METTL3/METTL14	IC50	=	3650.0	nM	5.44	Inhibition of human recombinant METTL3/METTL14 extracted from baculovirus infect...	39291017
METTL3/METTL14	IC50	=	4550.0	nM	5.34	Inhibition of METTL3/METTL14 (unknown origin) by mass spectrometry-based assay	36692498
SARS-CoV-2	IC50	=	8270.0	nM	5.08	Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in ...	-
Solute carrier organic anion transporter family member 2B1	Ki	=	8480.0	nM	5.07	Inhibition of OATP2B1-mediated [3H]estrone-3-sulfate uptake in human OATP2B1 exp...	21422191
METTL3/METTL14	Kd	=	13200.0	nM	4.88	Binding affinity to METTL3/METTL14 (unknown origin) assessed as dissociation con...	36692498
N6-adenosine-methyltransferase catalytic subunit	Kd	=	13200.0	nM	4.88	Binding affinity to METTL3 (unknown origin) assessed as dissociation constant by...	38805939
Solute carrier organic anion transporter family member 1B1	Ki	=	14900.0	nM	4.83	Inhibition of OATP1B1-mediated [3H]estrone-3-sulfate uptake in human OATP1B1 exp...	21422191
Solute carrier organic anion transporter family member 1B3	Ki	=	25600.0	nM	4.59	Inhibition of OATP1B3-mediated [3H]estradiol 17beta-glucuronide uptake in human ...	21422191

Literature References

PubMed	DOI	Target Context	# Activities
21422191	10.1124/dmd.110.037960	Hepatocyte	17
21422191	10.1124/dmd.110.037960	ADMET	10
21422191	10.1124/dmd.110.037960	Rattus norvegicus	4
21422191	10.1124/dmd.110.037960	Liver	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
21422191	10.1124/dmd.110.037960	Solute carrier family 22 member 1	3
21422191	10.1124/dmd.110.037960	Solute carrier organic anion transporter family member 1B3	3
21422191	10.1124/dmd.110.037960	Solute carrier organic anion transporter family member 2B1	3
21422191	10.1124/dmd.110.037960	Solute carrier organic anion transporter family member 1B1	3
36692498	10.1021/acs.jmedchem.2c01601	METTL3/METTL14	3
25087753	10.1016/j.vascn.2014.07.002	Voltage-gated inwardly rectifying potassium channel KCNH2	3
25087753	10.1016/j.vascn.2014.07.002	Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK)	2
25087753	10.1016/j.vascn.2014.07.002	Sodium channel protein type 5 subunit alpha	2
25087753	10.1016/j.vascn.2014.07.002	Voltage-dependent L-type calcium channel subunit alpha-1C	2
-	10.6019/CHEMBL4495565	Vero C1008	2
21422191	10.1124/dmd.110.037960	Kidney	2
21422191	10.1124/dmd.110.037960	Mus musculus	2
18778936	10.1016/j.bmcl.2008.08.068	Thrombopoietin receptor	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
18783949	10.1016/j.bmcl.2008.08.077	Thrombopoietin receptor	2

Data from ChEMBL 36 via Core Engine